N-[[(1S)-1,3-dimethylcyclopentyl]methyl]-N-methylpropan-1-amine

C12H25N — CID 138507678

IUPACN-[[(1S)-1,3-dimethylcyclopentyl]methyl]-N-methylpropan-1-amine
SMILESCCCN(C)C[C@@]1(C)CCC(C)C1
InChIInChI=1S/C12H25N/c1-5-8-13(4)10-12(3)7-6-11(2)9-12/h11H,5-10H2,1-4H3/t11?,12-/m0/s1
InChIKeyWWZUCBQREHLVFQ-KIYNQFGBSA-N
MW183.34 g/mol
LogP3.15
Rot. Bonds4

About N-[[(1S)-1,3-dimethylcyclopentyl]methyl]-N-methylpropan-1-amine

N-[[(1S)-1,3-dimethylcyclopentyl]methyl]-N-methylpropan-1-amine (PubChem CID 138507678) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-[[(1S)-1,3-dimethylcyclopentyl]methyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[(1S)-1,3-dimethylcyclopentyl]methyl]-N-methylpropan-1-amine
PubChem CID138507678
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-[[(1S)-1,3-dimethylcyclopentyl]methyl]-N-methylpropan-1-amine
SMILESCCCN(C)C[C@@]1(C)CCC(C)C1
InChIInChI=1S/C12H25N/c1-5-8-13(4)10-12(3)7-6-11(2)9-12/h11H,5-10H2,1-4H3/t11?,12-/m0/s1
InChIKeyWWZUCBQREHLVFQ-KIYNQFGBSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-1,3-dimethylcyclopentane
CID 123273889
1,3,7-trimethyl-1-propylcyclononane
CID 123829205
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 63143016
1,3-dimethyl-1-(3-methylbutyl)cyclopentane
CID 91534929
(3S)-1-ethyl-1,3-dimethylcyclohexane
CID 145106781
1-[(dipropylamino)methyl]-4-methylcyclohexan-1-ol
CID 115647632
1-[[methyl(propyl)amino]methyl]cyclopentan-1-amine
CID 60854443
1-[[methyl(propyl)amino]methyl]cyclopropane-1-carbonitrile
CID 115242046
1-[(3R)-1-fluoro-3-methylcyclopentyl]-N,N-dimethylmethanamine
CID 144866434
1,5-diethyl-1,3,5,7-tetramethylcyclooctane
CID 158662889
N-[1-(aminomethyl)-3-methylcyclohexyl]-N-propylmethanesulfonamide
CID 62007623
1-ethyl-3-methyl-N-propylcyclopentan-1-amine
CID 145367568

Frequently Asked Questions

What is the IUPAC name of N-[[(1S)-1,3-dimethylcyclopentyl]methyl]-N-methylpropan-1-amine?
The IUPAC name of N-[[(1S)-1,3-dimethylcyclopentyl]methyl]-N-methylpropan-1-amine (CID 138507678) is N-[[(1S)-1,3-dimethylcyclopentyl]methyl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[[(1S)-1,3-dimethylcyclopentyl]methyl]-N-methylpropan-1-amine?
The canonical SMILES for N-[[(1S)-1,3-dimethylcyclopentyl]methyl]-N-methylpropan-1-amine is CCCN(C)C[C@@]1(C)CCC(C)C1.
What is the InChIKey of N-[[(1S)-1,3-dimethylcyclopentyl]methyl]-N-methylpropan-1-amine?
The InChIKey is WWZUCBQREHLVFQ-KIYNQFGBSA-N. The full InChI is InChI=1S/C12H25N/c1-5-8-13(4)10-12(3)7-6-11(2)9-12/h11H,5-10H2,1-4H3/t11?,12-/m0/s1.
What are the key properties of N-[[(1S)-1,3-dimethylcyclopentyl]methyl]-N-methylpropan-1-amine?
N-[[(1S)-1,3-dimethylcyclopentyl]methyl]-N-methylpropan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S)-1,3-dimethylcyclopentyl]methyl]-N-methylpropan-1-amine is sourced from PubChem (CID 138507678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).