1-cycloheptyl-N,3-dimethylhexan-2-amine

C15H31N — CID 107893929

IUPAC1-cycloheptyl-N,3-dimethylhexan-2-amine
SMILESCCCC(C)C(CC1CCCCCC1)NC
InChIInChI=1S/C15H31N/c1-4-9-13(2)15(16-3)12-14-10-7-5-6-8-11-14/h13-16H,4-12H2,1-3H3
InChIKeyJZJRAFXGTPRWTP-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.37
Rot. Bonds6

About 1-cycloheptyl-N,3-dimethylhexan-2-amine

1-cycloheptyl-N,3-dimethylhexan-2-amine (PubChem CID 107893929) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 1-cycloheptyl-N,3-dimethylhexan-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-N,3-dimethylhexan-2-amine
PubChem CID107893929
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name1-cycloheptyl-N,3-dimethylhexan-2-amine
SMILESCCCC(C)C(CC1CCCCCC1)NC
InChIInChI=1S/C15H31N/c1-4-9-13(2)15(16-3)12-14-10-7-5-6-8-11-14/h13-16H,4-12H2,1-3H3
InChIKeyJZJRAFXGTPRWTP-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-N-ethyl-3-methylhexan-2-amine
CID 115842188
(2S)-1-cyclohexyl-N,3-dimethylbutan-2-amine
CID 167019095
1-cyclopentyl-3-methoxy-N-methylhexan-2-amine
CID 116718854
1-(1,1-dioxothiolan-3-yl)-N,3-dimethylhexan-2-amine
CID 107893846
1-cyclooctyl-N,2-dimethylpentan-1-amine
CID 107893689
3-cyclohexyl-1,1-difluoro-N-methylpropan-2-amine
CID 80604795
1-cyclopentyl-N-ethyl-4-methylheptan-3-amine
CID 107893474
3-(cyclohexylmethoxy)-N-methylheptan-4-amine
CID 55066438
1-cycloheptyl-N-methylhexan-2-amine
CID 115832695
(1-cyclopentyl-3-methylpentan-2-yl)hydrazine
CID 105219565
1-cyclobutyl-3-methylhexan-2-ol
CID 115802415
(1-cyclohexyl-3-methoxyhexan-2-yl)hydrazine
CID 105271682

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N,3-dimethylhexan-2-amine?
The IUPAC name of 1-cycloheptyl-N,3-dimethylhexan-2-amine (CID 107893929) is 1-cycloheptyl-N,3-dimethylhexan-2-amine.
What is the SMILES notation for 1-cycloheptyl-N,3-dimethylhexan-2-amine?
The canonical SMILES for 1-cycloheptyl-N,3-dimethylhexan-2-amine is CCCC(C)C(CC1CCCCCC1)NC.
What is the InChIKey of 1-cycloheptyl-N,3-dimethylhexan-2-amine?
The InChIKey is JZJRAFXGTPRWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-4-9-13(2)15(16-3)12-14-10-7-5-6-8-11-14/h13-16H,4-12H2,1-3H3.
What are the key properties of 1-cycloheptyl-N,3-dimethylhexan-2-amine?
1-cycloheptyl-N,3-dimethylhexan-2-amine has a molecular weight of 225.42 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N,3-dimethylhexan-2-amine is sourced from PubChem (CID 107893929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).