4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine

C15H31N — CID 65083653

IUPAC4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine
SMILESCCC(NC1CCCC(C)(C)CC1)C(C)C
InChIInChI=1S/C15H31N/c1-6-14(12(2)3)16-13-8-7-10-15(4,5)11-9-13/h12-14,16H,6-11H2,1-5H3
InChIKeyMNQGZTNTEHJBPB-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.37
Rot. Bonds4

About 4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine

4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine (PubChem CID 65083653) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine
PubChem CID65083653
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine
SMILESCCC(NC1CCCC(C)(C)CC1)C(C)C
InChIInChI=1S/C15H31N/c1-6-14(12(2)3)16-13-8-7-10-15(4,5)11-9-13/h12-14,16H,6-11H2,1-5H3
InChIKeyMNQGZTNTEHJBPB-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

(2S)-2-[(4,4-dimethylcyclohexyl)amino]-3-methylbutan-1-ol
CID 79254694
(2R)-2-[(4,4-dimethylcycloheptyl)amino]propan-1-ol
CID 114985646
N-(dicyclopropylmethyl)-4,4-dimethylcycloheptan-1-amine
CID 65082973
3-cyclopropyl-N-(2-methylpentan-3-yl)cyclohexan-1-amine
CID 64623783
(2S)-2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutan-1-ol
CID 80705967
methyl (2S)-2-[(4,4-dimethylcycloheptyl)amino]propanoate
CID 65084501
N-butyl-4,4-dimethylcycloheptan-1-amine
CID 65082955
4-(2-methylbutan-2-yl)-N-(2-methylpentan-3-yl)cyclohexan-1-amine
CID 43778905
N-(2-methyldodecan-3-yl)cyclohexanamine
CID 150788922
N-(4-butan-2-ylphenyl)-4,4-dimethylcycloheptan-1-amine
CID 65083892
N-(2-methylpentan-3-yl)oxolan-3-amine
CID 63335155
N-[(1S)-1-(4-bromophenyl)ethyl]-4,4-dimethylcycloheptan-1-amine
CID 81354248

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine?
The IUPAC name of 4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine (CID 65083653) is 4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine is CCC(NC1CCCC(C)(C)CC1)C(C)C.
What is the InChIKey of 4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine?
The InChIKey is MNQGZTNTEHJBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-6-14(12(2)3)16-13-8-7-10-15(4,5)11-9-13/h12-14,16H,6-11H2,1-5H3.
What are the key properties of 4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine?
4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-(2-methylpentan-3-yl)cycloheptan-1-amine is sourced from PubChem (CID 65083653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).