1-cycloheptyl-N,6,6-trimethylheptan-2-amine

C17H35N — CID 114211051

IUPAC1-cycloheptyl-N,6,6-trimethylheptan-2-amine
SMILESCNC(CCCC(C)(C)C)CC1CCCCCC1
InChIInChI=1S/C17H35N/c1-17(2,3)13-9-12-16(18-4)14-15-10-7-5-6-8-11-15/h15-16,18H,5-14H2,1-4H3
InChIKeyZFPVRZVQRPFHFV-UHFFFAOYSA-N
MW253.47 g/mol
LogP5.15
Rot. Bonds6

About 1-cycloheptyl-N,6,6-trimethylheptan-2-amine

1-cycloheptyl-N,6,6-trimethylheptan-2-amine (PubChem CID 114211051) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is 1-cycloheptyl-N,6,6-trimethylheptan-2-amine.

Molecular Properties

Compound Name1-cycloheptyl-N,6,6-trimethylheptan-2-amine
PubChem CID114211051
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC Name1-cycloheptyl-N,6,6-trimethylheptan-2-amine
SMILESCNC(CCCC(C)(C)C)CC1CCCCCC1
InChIInChI=1S/C17H35N/c1-17(2,3)13-9-12-16(18-4)14-15-10-7-5-6-8-11-15/h15-16,18H,5-14H2,1-4H3
InChIKeyZFPVRZVQRPFHFV-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-cycloheptyl-N,6,6-trimethylheptan-2-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

1-cyclobutyl-N,5,5-trimethylhexan-2-amine
CID 103168554
1-cycloheptyl-N-methylhexan-2-amine
CID 115832695
1-cyclohexyl-N-methylheptan-2-amine
CID 115836969
1-cyclohexyl-5-ethoxy-N-methylpentan-2-amine
CID 105135620
1-cycloheptyl-N-methyl-5-methylsulfonylpentan-2-amine
CID 115820359
1-cyclopentyl-N-methylhept-6-yn-2-amine
CID 105034139
1-cyclobutyl-N-methylnonan-2-amine
CID 115863864
1-cyclohexyl-N-methylbutan-2-amine
CID 62601734
1-cyclobutyl-5-ethoxy-N-methylpentan-2-amine
CID 105151604
4,4-dimethylpentylcycloundecane
CID 176613669
(2R)-3-cyclohexyl-1-N,1-N,2-N-trimethylpropane-1,2-diamine
CID 58597797
1-cyclopentyl-4,4,4-trifluoro-N-methylbutan-2-amine
CID 62603326

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N,6,6-trimethylheptan-2-amine?
The IUPAC name of 1-cycloheptyl-N,6,6-trimethylheptan-2-amine (CID 114211051) is 1-cycloheptyl-N,6,6-trimethylheptan-2-amine.
What is the SMILES notation for 1-cycloheptyl-N,6,6-trimethylheptan-2-amine?
The canonical SMILES for 1-cycloheptyl-N,6,6-trimethylheptan-2-amine is CNC(CCCC(C)(C)C)CC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-N,6,6-trimethylheptan-2-amine?
The InChIKey is ZFPVRZVQRPFHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N/c1-17(2,3)13-9-12-16(18-4)14-15-10-7-5-6-8-11-15/h15-16,18H,5-14H2,1-4H3.
What are the key properties of 1-cycloheptyl-N,6,6-trimethylheptan-2-amine?
1-cycloheptyl-N,6,6-trimethylheptan-2-amine has a molecular weight of 253.47 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N,6,6-trimethylheptan-2-amine is sourced from PubChem (CID 114211051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).