N-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine

C15H31N — CID 81391072

IUPACN-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine
SMILESC[C@H](NCCC(C)(C)C)C1CCCCCC1
InChIInChI=1S/C15H31N/c1-13(16-12-11-15(2,3)4)14-9-7-5-6-8-10-14/h13-14,16H,5-12H2,1-4H3/t13-/m0/s1
InChIKeyIKTICPUBDAAIIX-ZDUSSCGKSA-N
MW225.42 g/mol
LogP4.37
Rot. Bonds4

About N-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine

N-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine (PubChem CID 81391072) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine
PubChem CID81391072
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine
SMILESC[C@H](NCCC(C)(C)C)C1CCCCCC1
InChIInChI=1S/C15H31N/c1-13(16-12-11-15(2,3)4)14-9-7-5-6-8-10-14/h13-14,16H,5-12H2,1-4H3/t13-/m0/s1
InChIKeyIKTICPUBDAAIIX-ZDUSSCGKSA-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

Analyze N-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(1R)-1-cycloheptylethyl]amino]-2-methylbutan-2-ol
CID 81391896
4-[[(1S)-1-cyclohexylethyl]amino]-2-methylbutan-2-ol
CID 81384605
N-[(1S)-1-cyclohexylethyl]-3,3,3-trifluoropropan-1-amine
CID 81384504
N-(1-cyclohexylethyl)-3-methoxy-3-methylbutan-1-amine
CID 102977935
N-[(1R)-1-cycloheptylethyl]propan-1-amine
CID 81393503
N'-tert-butyl-N-[(1S)-1-cyclopentylethyl]ethane-1,2-diamine
CID 107445909
(1S)-1-cyclohexyl-N-(2-fluoroethyl)ethanamine
CID 81384500
N-[(1R)-1-cyclopentylethyl]propan-1-amine
CID 81395735
N-(1-cyclopentylethyl)propan-1-amine
CID 60819417
N-(2-chloroethyl)-1-cyclohexylethanamine;hydrochloride
CID 173240168
(1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 103939598
N-[(1R)-1-cyclohexylethyl]-5,5-dimethylhexan-2-amine
CID 114279938

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine?
The IUPAC name of N-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine (CID 81391072) is N-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine.
What is the SMILES notation for N-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine?
The canonical SMILES for N-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine is C[C@H](NCCC(C)(C)C)C1CCCCCC1.
What is the InChIKey of N-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine?
The InChIKey is IKTICPUBDAAIIX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H31N/c1-13(16-12-11-15(2,3)4)14-9-7-5-6-8-10-14/h13-14,16H,5-12H2,1-4H3/t13-/m0/s1.
What are the key properties of N-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine?
N-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-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 N-[(1S)-1-cycloheptylethyl]-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 81391072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).