4-(3,3-dimethylbutyl)morpholine;4-(4,4-dimethylpentyl)morpholine;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine

C40H85N5O3 — CID 157451158

IUPAC4-(3,3-dimethylbutyl)morpholine;4-(4,4-dimethylpentyl)morpholine;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine
SMILESCC(C)(C)CCCN1CCOCC1.CC(C)(C)CCN1CCOCC1.CC(C)(C)CN1CCOCC1.CN1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C11H23NO.C10H22N2.C10H21NO.C9H19NO/c1-11(2,3)5-4-6-12-7-9-13-10-8-12;1-10(2,3)9-12-7-5-11(4)6-8-12;1-10(2,3)4-5-11-6-8-12-9-7-11;1-9(2,3)8-10-4-6-11-7-5-10/h4-10H2,1-3H3;5-9H2,1-4H3;4-9H2,1-3H3;4-8H2,1-3H3
InChIKeyBSUZHDRVVBXRCL-UHFFFAOYSA-N
MW684.15 g/mol
LogP6.54
Rot. Bonds7

About 4-(3,3-dimethylbutyl)morpholine;4-(4,4-dimethylpentyl)morpholine;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine

4-(3,3-dimethylbutyl)morpholine;4-(4,4-dimethylpentyl)morpholine;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine (PubChem CID 157451158) has the molecular formula C40H85N5O3 and a molecular weight of 684.15 g/mol. Its IUPAC name is 4-(3,3-dimethylbutyl)morpholine;4-(4,4-dimethylpentyl)morpholine;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine.

Molecular Properties

Compound Name4-(3,3-dimethylbutyl)morpholine;4-(4,4-dimethylpentyl)morpholine;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine
PubChem CID157451158
Molecular FormulaC40H85N5O3
Molecular Weight684.15 g/mol
Exact Mass683.67
IUPAC Name4-(3,3-dimethylbutyl)morpholine;4-(4,4-dimethylpentyl)morpholine;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine
SMILESCC(C)(C)CCCN1CCOCC1.CC(C)(C)CCN1CCOCC1.CC(C)(C)CN1CCOCC1.CN1CCN(CC(C)(C)C)CC1
InChIInChI=1S/C11H23NO.C10H22N2.C10H21NO.C9H19NO/c1-11(2,3)5-4-6-12-7-9-13-10-8-12;1-10(2,3)9-12-7-5-11(4)6-8-12;1-10(2,3)4-5-11-6-8-12-9-7-11;1-9(2,3)8-10-4-6-11-7-5-10/h4-10H2,1-3H3;5-9H2,1-4H3;4-9H2,1-3H3;4-8H2,1-3H3
InChIKeyBSUZHDRVVBXRCL-UHFFFAOYSA-N
XLogP6.54
TPSA43.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.15
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutyl)morpholine;4-(4,4-dimethylpentyl)morpholine;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine?
The IUPAC name of 4-(3,3-dimethylbutyl)morpholine;4-(4,4-dimethylpentyl)morpholine;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine (CID 157451158) is 4-(3,3-dimethylbutyl)morpholine;4-(4,4-dimethylpentyl)morpholine;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine.
What is the SMILES notation for 4-(3,3-dimethylbutyl)morpholine;4-(4,4-dimethylpentyl)morpholine;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine?
The canonical SMILES for 4-(3,3-dimethylbutyl)morpholine;4-(4,4-dimethylpentyl)morpholine;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine is CC(C)(C)CCCN1CCOCC1.CC(C)(C)CCN1CCOCC1.CC(C)(C)CN1CCOCC1.CN1CCN(CC(C)(C)C)CC1.
What is the InChIKey of 4-(3,3-dimethylbutyl)morpholine;4-(4,4-dimethylpentyl)morpholine;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine?
The InChIKey is BSUZHDRVVBXRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.C10H22N2.C10H21NO.C9H19NO/c1-11(2,3)5-4-6-12-7-9-13-10-8-12;1-10(2,3)9-12-7-5-11(4)6-8-12;1-10(2,3)4-5-11-6-8-12-9-7-11;1-9(2,3)8-10-4-6-11-7-5-10/h4-10H2,1-3H3;5-9H2,1-4H3;4-9H2,1-3H3;4-8H2,1-3H3.
What are the key properties of 4-(3,3-dimethylbutyl)morpholine;4-(4,4-dimethylpentyl)morpholine;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine?
4-(3,3-dimethylbutyl)morpholine;4-(4,4-dimethylpentyl)morpholine;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine has a molecular weight of 684.15 g/mol, XLogP of 6.54, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutyl)morpholine;4-(4,4-dimethylpentyl)morpholine;1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine is sourced from PubChem (CID 157451158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).