3-methoxy-N,5-dimethyl-3-[2-[2-methyl-3-[2-(methylamino)ethyl]-4-(2-methylpropyl)cyclobutyl]propyl]hexan-1-amine

C24H50N2O — CID 123138948

IUPAC3-methoxy-N,5-dimethyl-3-[2-[2-methyl-3-[2-(methylamino)ethyl]-4-(2-methylpropyl)cyclobutyl]propyl]hexan-1-amine
SMILESCNCCC1C(C)C(C(C)CC(CCNC)(CC(C)C)OC)C1CC(C)C
InChIInChI=1S/C24H50N2O/c1-17(2)14-22-21(10-12-25-7)20(6)23(22)19(5)16-24(27-9,11-13-26-8)15-18(3)4/h17-23,25-26H,10-16H2,1-9H3
InChIKeyKZJGCBVZXYQHPH-UHFFFAOYSA-N
MW382.68 g/mol
LogP5.21
Rot. Bonds14

About 3-methoxy-N,5-dimethyl-3-[2-[2-methyl-3-[2-(methylamino)ethyl]-4-(2-methylpropyl)cyclobutyl]propyl]hexan-1-amine

3-methoxy-N,5-dimethyl-3-[2-[2-methyl-3-[2-(methylamino)ethyl]-4-(2-methylpropyl)cyclobutyl]propyl]hexan-1-amine (PubChem CID 123138948) has the molecular formula C24H50N2O and a molecular weight of 382.68 g/mol. Its IUPAC name is 3-methoxy-N,5-dimethyl-3-[2-[2-methyl-3-[2-(methylamino)ethyl]-4-(2-methylpropyl)cyclobutyl]propyl]hexan-1-amine.

Molecular Properties

Compound Name3-methoxy-N,5-dimethyl-3-[2-[2-methyl-3-[2-(methylamino)ethyl]-4-(2-methylpropyl)cyclobutyl]propyl]hexan-1-amine
PubChem CID123138948
Molecular FormulaC24H50N2O
Molecular Weight382.68 g/mol
Exact Mass382.39
IUPAC Name3-methoxy-N,5-dimethyl-3-[2-[2-methyl-3-[2-(methylamino)ethyl]-4-(2-methylpropyl)cyclobutyl]propyl]hexan-1-amine
SMILESCNCCC1C(C)C(C(C)CC(CCNC)(CC(C)C)OC)C1CC(C)C
InChIInChI=1S/C24H50N2O/c1-17(2)14-22-21(10-12-25-7)20(6)23(22)19(5)16-24(27-9,11-13-26-8)15-18(3)4/h17-23,25-26H,10-16H2,1-9H3
InChIKeyKZJGCBVZXYQHPH-UHFFFAOYSA-N
XLogP5.21
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.68
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,5-dimethyl-3-[2-[2-methyl-3-[2-(methylamino)ethyl]-4-(2-methylpropyl)cyclobutyl]propyl]hexan-1-amine?
The IUPAC name of 3-methoxy-N,5-dimethyl-3-[2-[2-methyl-3-[2-(methylamino)ethyl]-4-(2-methylpropyl)cyclobutyl]propyl]hexan-1-amine (CID 123138948) is 3-methoxy-N,5-dimethyl-3-[2-[2-methyl-3-[2-(methylamino)ethyl]-4-(2-methylpropyl)cyclobutyl]propyl]hexan-1-amine.
What is the SMILES notation for 3-methoxy-N,5-dimethyl-3-[2-[2-methyl-3-[2-(methylamino)ethyl]-4-(2-methylpropyl)cyclobutyl]propyl]hexan-1-amine?
The canonical SMILES for 3-methoxy-N,5-dimethyl-3-[2-[2-methyl-3-[2-(methylamino)ethyl]-4-(2-methylpropyl)cyclobutyl]propyl]hexan-1-amine is CNCCC1C(C)C(C(C)CC(CCNC)(CC(C)C)OC)C1CC(C)C.
What is the InChIKey of 3-methoxy-N,5-dimethyl-3-[2-[2-methyl-3-[2-(methylamino)ethyl]-4-(2-methylpropyl)cyclobutyl]propyl]hexan-1-amine?
The InChIKey is KZJGCBVZXYQHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50N2O/c1-17(2)14-22-21(10-12-25-7)20(6)23(22)19(5)16-24(27-9,11-13-26-8)15-18(3)4/h17-23,25-26H,10-16H2,1-9H3.
What are the key properties of 3-methoxy-N,5-dimethyl-3-[2-[2-methyl-3-[2-(methylamino)ethyl]-4-(2-methylpropyl)cyclobutyl]propyl]hexan-1-amine?
3-methoxy-N,5-dimethyl-3-[2-[2-methyl-3-[2-(methylamino)ethyl]-4-(2-methylpropyl)cyclobutyl]propyl]hexan-1-amine has a molecular weight of 382.68 g/mol, XLogP of 5.21, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,5-dimethyl-3-[2-[2-methyl-3-[2-(methylamino)ethyl]-4-(2-methylpropyl)cyclobutyl]propyl]hexan-1-amine is sourced from PubChem (CID 123138948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).