4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]-N-propylpentan-1-amine

C19H39NO — CID 103032090

IUPAC4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)C1(CC(C)C)CCCC1
InChIInChI=1S/C19H39NO/c1-7-14-20-17(10-13-18(4,5)21-6)19(15-16(2)3)11-8-9-12-19/h16-17,20H,7-15H2,1-6H3
InChIKeyQGLCROZAHIGMGN-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.17
Rot. Bonds10

About 4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]-N-propylpentan-1-amine

4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]-N-propylpentan-1-amine (PubChem CID 103032090) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is 4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]-N-propylpentan-1-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]-N-propylpentan-1-amine
PubChem CID103032090
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC Name4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]-N-propylpentan-1-amine
SMILESCCCNC(CCC(C)(C)OC)C1(CC(C)C)CCCC1
InChIInChI=1S/C19H39NO/c1-7-14-20-17(10-13-18(4,5)21-6)19(15-16(2)3)11-8-9-12-19/h16-17,20H,7-15H2,1-6H3
InChIKeyQGLCROZAHIGMGN-UHFFFAOYSA-N
XLogP5.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]-N-propylpentan-1-amine?
The IUPAC name of 4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]-N-propylpentan-1-amine (CID 103032090) is 4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]-N-propylpentan-1-amine.
What is the SMILES notation for 4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]-N-propylpentan-1-amine?
The canonical SMILES for 4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]-N-propylpentan-1-amine is CCCNC(CCC(C)(C)OC)C1(CC(C)C)CCCC1.
What is the InChIKey of 4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]-N-propylpentan-1-amine?
The InChIKey is QGLCROZAHIGMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-7-14-20-17(10-13-18(4,5)21-6)19(15-16(2)3)11-8-9-12-19/h16-17,20H,7-15H2,1-6H3.
What are the key properties of 4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]-N-propylpentan-1-amine?
4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]-N-propylpentan-1-amine has a molecular weight of 297.53 g/mol, XLogP of 5.17, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-1-[1-(2-methylpropyl)cyclopentyl]-N-propylpentan-1-amine is sourced from PubChem (CID 103032090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).