3-butyl-N,6-dimethylcycloheptan-1-amine

C13H27N — CID 170365607

IUPAC3-butyl-N,6-dimethylcycloheptan-1-amine
SMILESCCCCC1CCC(C)CC(NC)C1
InChIInChI=1S/C13H27N/c1-4-5-6-12-8-7-11(2)9-13(10-12)14-3/h11-14H,4-10H2,1-3H3
InChIKeyUACDEJKNGQGMQY-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.59
Rot. Bonds4

About 3-butyl-N,6-dimethylcycloheptan-1-amine

3-butyl-N,6-dimethylcycloheptan-1-amine (PubChem CID 170365607) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 3-butyl-N,6-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name3-butyl-N,6-dimethylcycloheptan-1-amine
PubChem CID170365607
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name3-butyl-N,6-dimethylcycloheptan-1-amine
SMILESCCCCC1CCC(C)CC(NC)C1
InChIInChI=1S/C13H27N/c1-4-5-6-12-8-7-11(2)9-13(10-12)14-3/h11-14H,4-10H2,1-3H3
InChIKeyUACDEJKNGQGMQY-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(1-butyl-3-methylcyclopentane);carbanide;zirconium(4+)
CID 23232814
N-methyl-3-nonylcyclopentan-1-amine
CID 64505656
bis(1-butyl-3-methylcyclopentane);carbanide;dichlorozirconium(2+);molecular hydrogen
CID 162291170
cis-(1R,3S)-1-methyl-3-propylcyclopentane
CID 59954450
1-(4-butyloctyl)-3-methylcyclopentane
CID 123934919
butylcyclopentane;1-butyl-3-methylcyclopentane;carbanide;dichlorozirconium(2+)
CID 162291172
3-ethyl-N,5-dimethylcyclohexan-1-amine
CID 143338099
[(1R,3S)-3-butylcyclopentyl]methanamine
CID 70345503
1-(4-butylcyclohexyl)-N-methylmethanamine
CID 43163686
1-butyl-4-methylcyclooctane
CID 123623113
1-bromo-3-butylcyclopentane
CID 64508261
5-butyl-1-ethyl-N-methylpiperidin-3-amine
CID 83989561

Frequently Asked Questions

What is the IUPAC name of 3-butyl-N,6-dimethylcycloheptan-1-amine?
The IUPAC name of 3-butyl-N,6-dimethylcycloheptan-1-amine (CID 170365607) is 3-butyl-N,6-dimethylcycloheptan-1-amine.
What is the SMILES notation for 3-butyl-N,6-dimethylcycloheptan-1-amine?
The canonical SMILES for 3-butyl-N,6-dimethylcycloheptan-1-amine is CCCCC1CCC(C)CC(NC)C1.
What is the InChIKey of 3-butyl-N,6-dimethylcycloheptan-1-amine?
The InChIKey is UACDEJKNGQGMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-4-5-6-12-8-7-11(2)9-13(10-12)14-3/h11-14H,4-10H2,1-3H3.
What are the key properties of 3-butyl-N,6-dimethylcycloheptan-1-amine?
3-butyl-N,6-dimethylcycloheptan-1-amine has a molecular weight of 197.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-N,6-dimethylcycloheptan-1-amine is sourced from PubChem (CID 170365607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).