1-(3,3-dimethylbutyl)azetidin-3-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)piperidin-3-ol;1-(3,3-dimethylbutyl)piperidin-4-ol;1-(3,3-dimethylbutyl)pyrrolidine;(3R)-1-(3,3-dimethylbutyl)pyrrolidin-3-ol;methane

C84H179N9O5 — CID 158708902

About 1-(3,3-dimethylbutyl)azetidin-3-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)piperidin-3-ol;1-(3,3-dimethylbutyl)piperidin-4-ol;1-(3,3-dimethylbutyl)pyrrolidine;(3R)-1-(3,3-dimethylbutyl)pyrrolidin-3-ol;methane

1-(3,3-dimethylbutyl)azetidin-3-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)piperidin-3-ol;1-(3,3-dimethylbutyl)piperidin-4-ol;1-(3,3-dimethylbutyl)pyrrolidine;(3R)-1-(3,3-dimethylbutyl)pyrrolidin-3-ol;methane (PubChem CID 158708902) has the molecular formula C84H179N9O5 and a molecular weight of 1395.41 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)azetidin-3-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)piperidin-3-ol;1-(3,3-dimethylbutyl)piperidin-4-ol;1-(3,3-dimethylbutyl)pyrrolidine;(3R)-1-(3,3-dimethylbutyl)pyrrolidin-3-ol;methane.

Molecular Properties

• Compound Name: 1-(3,3-dimethylbutyl)azetidin-3-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)piperidin-3-ol;1-(3,3-dimethylbutyl)piperidin-4-ol;1-(3,3-dimethylbutyl)pyrrolidine;(3R)-1-(3,3-dimethylbutyl)pyrrolidin-3-ol;methane
• PubChem CID: 158708902
• Molecular Formula: C84H179N9O5
• Molecular Weight: 1395.41 g/mol
• Exact Mass: 1394.40
• IUPAC Name: 1-(3,3-dimethylbutyl)azetidin-3-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)piperidin-3-ol;1-(3,3-dimethylbutyl)piperidin-4-ol;1-(3,3-dimethylbutyl)pyrrolidine;(3R)-1-(3,3-dimethylbutyl)pyrrolidin-3-ol;methane
• SMILES: C.CC(C)(C)CCN1CC(O)C1.CC(C)(C)CCN1CCC(O)CC1.CC(C)(C)CCN1CCCC(O)C1.CC(C)(C)CCN1CCCC1.CC(C)(C)CCN1CCCCC1.CC(C)(C)CCN1CCOCC1.CC(C)(C)CCN1CC[C@@H](O)C1.CN1CCN(CCC(C)(C)C)CC1
• InChI: InChI=1S/C11H24N2.2C11H23NO.C11H23N.2C10H21NO.C10H21N.C9H19NO.CH4/c1-11(2,3)5-6-13-9-7-12(4)8-10-13;1-11(2,3)6-9-12-7-4-10(13)5-8-12;1-11(2,3)6-8-12-7-4-5-10(13)9-12;1-11(2,3)7-10-12-8-5-4-6-9-12;1-10(2,3)5-7-11-6-4-9(12)8-11;1-10(2,3)4-5-11-6-8-12-9-7-11;1-10(2,3)6-9-11-7-4-5-8-11;1-9(2,3)4-5-10-6-8(11)7-10;/h5-10H2,1-4H3;2*10,13H,4-9H2,1-3H3;4-10H2,1-3H3;9,12H,4-8H2,1-3H3;4-9H2,1-3H3;4-9H2,1-3H3;8,11H,4-7H2,1-3H3;1H4/t;;;;9-;;;;/m....1..../s1
• InChIKey: IILWYZIXFKTVMV-SOFDIBOYSA-N
• XLogP: 15.83
• TPSA: 119.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1395.41
LogP ≤ 5	15.83
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)azetidin-3-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)piperidin-3-ol;1-(3,3-dimethylbutyl)piperidin-4-ol;1-(3,3-dimethylbutyl)pyrrolidine;(3R)-1-(3,3-dimethylbutyl)pyrrolidin-3-ol;methane?

The IUPAC name of 1-(3,3-dimethylbutyl)azetidin-3-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)piperidin-3-ol;1-(3,3-dimethylbutyl)piperidin-4-ol;1-(3,3-dimethylbutyl)pyrrolidine;(3R)-1-(3,3-dimethylbutyl)pyrrolidin-3-ol;methane (CID 158708902) is 1-(3,3-dimethylbutyl)azetidin-3-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)piperidin-3-ol;1-(3,3-dimethylbutyl)piperidin-4-ol;1-(3,3-dimethylbutyl)pyrrolidine;(3R)-1-(3,3-dimethylbutyl)pyrrolidin-3-ol;methane.

What is the SMILES notation for 1-(3,3-dimethylbutyl)azetidin-3-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)piperidin-3-ol;1-(3,3-dimethylbutyl)piperidin-4-ol;1-(3,3-dimethylbutyl)pyrrolidine;(3R)-1-(3,3-dimethylbutyl)pyrrolidin-3-ol;methane?

The canonical SMILES for 1-(3,3-dimethylbutyl)azetidin-3-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)piperidin-3-ol;1-(3,3-dimethylbutyl)piperidin-4-ol;1-(3,3-dimethylbutyl)pyrrolidine;(3R)-1-(3,3-dimethylbutyl)pyrrolidin-3-ol;methane is C.CC(C)(C)CCN1CC(O)C1.CC(C)(C)CCN1CCC(O)CC1.CC(C)(C)CCN1CCCC(O)C1.CC(C)(C)CCN1CCCC1.CC(C)(C)CCN1CCCCC1.CC(C)(C)CCN1CCOCC1.CC(C)(C)CCN1CC[C@@H](O)C1.CN1CCN(CCC(C)(C)C)CC1.

What is the InChIKey of 1-(3,3-dimethylbutyl)azetidin-3-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)piperidin-3-ol;1-(3,3-dimethylbutyl)piperidin-4-ol;1-(3,3-dimethylbutyl)pyrrolidine;(3R)-1-(3,3-dimethylbutyl)pyrrolidin-3-ol;methane?

The InChIKey is IILWYZIXFKTVMV-SOFDIBOYSA-N. The full InChI is InChI=1S/C11H24N2.2C11H23NO.C11H23N.2C10H21NO.C10H21N.C9H19NO.CH4/c1-11(2,3)5-6-13-9-7-12(4)8-10-13;1-11(2,3)6-9-12-7-4-10(13)5-8-12;1-11(2,3)6-8-12-7-4-5-10(13)9-12;1-11(2,3)7-10-12-8-5-4-6-9-12;1-10(2,3)5-7-11-6-4-9(12)8-11;1-10(2,3)4-5-11-6-8-12-9-7-11;1-10(2,3)6-9-11-7-4-5-8-11;1-9(2,3)4-5-10-6-8(11)7-10;/h5-10H2,1-4H3;2*10,13H,4-9H2,1-3H3;4-10H2,1-3H3;9,12H,4-8H2,1-3H3;4-9H2,1-3H3;4-9H2,1-3H3;8,11H,4-7H2,1-3H3;1H4/t;;;;9-;;;;/m....1..../s1.

What are the key properties of 1-(3,3-dimethylbutyl)azetidin-3-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)piperidin-3-ol;1-(3,3-dimethylbutyl)piperidin-4-ol;1-(3,3-dimethylbutyl)pyrrolidine;(3R)-1-(3,3-dimethylbutyl)pyrrolidin-3-ol;methane?

1-(3,3-dimethylbutyl)azetidin-3-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)piperidin-3-ol;1-(3,3-dimethylbutyl)piperidin-4-ol;1-(3,3-dimethylbutyl)pyrrolidine;(3R)-1-(3,3-dimethylbutyl)pyrrolidin-3-ol;methane has a molecular weight of 1395.41 g/mol, XLogP of 15.83, 16 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,3-dimethylbutyl)azetidin-3-ol;1-(3,3-dimethylbutyl)-4-methylpiperazine;4-(3,3-dimethylbutyl)morpholine;1-(3,3-dimethylbutyl)piperidine;1-(3,3-dimethylbutyl)piperidin-3-ol;1-(3,3-dimethylbutyl)piperidin-4-ol;1-(3,3-dimethylbutyl)pyrrolidine;(3R)-1-(3,3-dimethylbutyl)pyrrolidin-3-ol;methane is sourced from PubChem (CID 158708902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).