4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-N,2-dimethylpropan-2-amine;N,N,2-trimethylpropan-2-amine

C78H169N11O2 — CID 158508966

About 4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-N,2-dimethylpropan-2-amine;N,N,2-trimethylpropan-2-amine

4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-N,2-dimethylpropan-2-amine;N,N,2-trimethylpropan-2-amine (PubChem CID 158508966) has the molecular formula C78H169N11O2 and a molecular weight of 1293.28 g/mol. Its IUPAC name is 4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-N,2-dimethylpropan-2-amine;N,N,2-trimethylpropan-2-amine.

Molecular Properties

• Compound Name: 4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-N,2-dimethylpropan-2-amine;N,N,2-trimethylpropan-2-amine
• PubChem CID: 158508966
• Molecular Formula: C78H169N11O2
• Molecular Weight: 1293.28 g/mol
• Exact Mass: 1292.35
• IUPAC Name: 4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-N,2-dimethylpropan-2-amine;N,N,2-trimethylpropan-2-amine
• SMILES: CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CC(C)N1CCN(C(C)(C)C)CC1.CC1COCCN1C(C)(C)C.CN(C)C(C)(C)C.CN(CC1CC1)C(C)(C)C.CN1CCN(C(C)(C)C)CC1
• InChI: InChI=1S/C11H24N2.C9H20N2.C9H19NO.3C9H19N.C8H17NO.C8H17N.C6H15N/c1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-9(2,3)11-7-5-10(4)6-8-11;1-8-7-11-6-5-10(8)9(2,3)4;1-9(2,3)10(4)7-8-5-6-8;2*1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-6(2,3)7(4)5/h10H,6-9H2,1-5H3;5-8H2,1-4H3;8H,5-7H2,1-4H3;8H,5-7H2,1-4H3;2*4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;1-5H3
• InChIKey: HKUUDWWNQRBFPW-UHFFFAOYSA-N
• XLogP: 15.36
• TPSA: 54.10 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 3
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1293.28
LogP ≤ 5	15.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-N,2-dimethylpropan-2-amine;N,N,2-trimethylpropan-2-amine?

The IUPAC name of 4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-N,2-dimethylpropan-2-amine;N,N,2-trimethylpropan-2-amine (CID 158508966) is 4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-N,2-dimethylpropan-2-amine;N,N,2-trimethylpropan-2-amine.

What is the SMILES notation for 4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-N,2-dimethylpropan-2-amine;N,N,2-trimethylpropan-2-amine?

The canonical SMILES for 4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-N,2-dimethylpropan-2-amine;N,N,2-trimethylpropan-2-amine is CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCOCC1.CC(C)N1CCN(C(C)(C)C)CC1.CC1COCCN1C(C)(C)C.CN(C)C(C)(C)C.CN(CC1CC1)C(C)(C)C.CN1CCN(C(C)(C)C)CC1.

What is the InChIKey of 4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-N,2-dimethylpropan-2-amine;N,N,2-trimethylpropan-2-amine?

The InChIKey is HKUUDWWNQRBFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2.C9H20N2.C9H19NO.3C9H19N.C8H17NO.C8H17N.C6H15N/c1-10(2)12-6-8-13(9-7-12)11(3,4)5;1-9(2,3)11-7-5-10(4)6-8-11;1-8-7-11-6-5-10(8)9(2,3)4;1-9(2,3)10(4)7-8-5-6-8;2*1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-6(2,3)7(4)5/h10H,6-9H2,1-5H3;5-8H2,1-4H3;8H,5-7H2,1-4H3;8H,5-7H2,1-4H3;2*4-8H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3;1-5H3.

What are the key properties of 4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-N,2-dimethylpropan-2-amine;N,N,2-trimethylpropan-2-amine?

4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-N,2-dimethylpropan-2-amine;N,N,2-trimethylpropan-2-amine has a molecular weight of 1293.28 g/mol, XLogP of 15.36, 3 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-3-methylmorpholine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;bis(1-tert-butylpiperidine);1-tert-butyl-4-propan-2-ylpiperazine;1-tert-butylpyrrolidine;N-(cyclopropylmethyl)-N,2-dimethylpropan-2-amine;N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 158508966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).