N-(cycloheptylmethyl)-N,3-dimethylpentan-1-amine

C15H31N — CID 163258522

IUPACN-(cycloheptylmethyl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CCN(C)CC1CCCCCC1
InChIInChI=1S/C15H31N/c1-4-14(2)11-12-16(3)13-15-9-7-5-6-8-10-15/h14-15H,4-13H2,1-3H3
InChIKeyJFYXTMONCSRAKT-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.32
Rot. Bonds6

About N-(cycloheptylmethyl)-N,3-dimethylpentan-1-amine

N-(cycloheptylmethyl)-N,3-dimethylpentan-1-amine (PubChem CID 163258522) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-(cycloheptylmethyl)-N,3-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-(cycloheptylmethyl)-N,3-dimethylpentan-1-amine
PubChem CID163258522
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-(cycloheptylmethyl)-N,3-dimethylpentan-1-amine
SMILESCCC(C)CCN(C)CC1CCCCCC1
InChIInChI=1S/C15H31N/c1-4-14(2)11-12-16(3)13-15-9-7-5-6-8-10-15/h14-15H,4-13H2,1-3H3
InChIKeyJFYXTMONCSRAKT-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[cyclohexylmethyl(methyl)amino]-4,4-dimethylpentan-3-ol
CID 62623575
N-(cyclopentylmethyl)-N-methylpropan-1-amine
CID 67817061
1-N-(cyclopentylmethyl)-1-N-methyl-3-N-propylbutane-1,3-diamine
CID 63632628
N-ethyl-N-(3-methylpentyl)cyclohexanamine
CID 142032540
N-butan-2-yl-N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 63657941
N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane
CID 142936949
4-[cyclohexylmethyl(methyl)amino]-2-(propylamino)butan-1-ol
CID 64827016
(3S)-N-ethyl-N,3-dimethylpentan-1-amine
CID 89357634
1-[cyclohexylmethyl(methyl)amino]butan-2-ol
CID 61446730
N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 55151127
N'-(cyclohexylmethyl)-N'-methyl-N-propan-2-ylpentane-1,5-diamine
CID 62412553
N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62413248

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylmethyl)-N,3-dimethylpentan-1-amine?
The IUPAC name of N-(cycloheptylmethyl)-N,3-dimethylpentan-1-amine (CID 163258522) is N-(cycloheptylmethyl)-N,3-dimethylpentan-1-amine.
What is the SMILES notation for N-(cycloheptylmethyl)-N,3-dimethylpentan-1-amine?
The canonical SMILES for N-(cycloheptylmethyl)-N,3-dimethylpentan-1-amine is CCC(C)CCN(C)CC1CCCCCC1.
What is the InChIKey of N-(cycloheptylmethyl)-N,3-dimethylpentan-1-amine?
The InChIKey is JFYXTMONCSRAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-4-14(2)11-12-16(3)13-15-9-7-5-6-8-10-15/h14-15H,4-13H2,1-3H3.
What are the key properties of N-(cycloheptylmethyl)-N,3-dimethylpentan-1-amine?
N-(cycloheptylmethyl)-N,3-dimethylpentan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)-N,3-dimethylpentan-1-amine is sourced from PubChem (CID 163258522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).