N-(2,3-dimethylcyclohexyl)-4,4-dimethylcycloheptan-1-amine

C17H33N — CID 65082404

IUPACN-(2,3-dimethylcyclohexyl)-4,4-dimethylcycloheptan-1-amine
SMILESCC1CCCC(NC2CCCC(C)(C)CC2)C1C
InChIInChI=1S/C17H33N/c1-13-7-5-9-16(14(13)2)18-15-8-6-11-17(3,4)12-10-15/h13-16,18H,5-12H2,1-4H3
InChIKeyPYBYBOTWTCPYFC-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.76
Rot. Bonds2

About N-(2,3-dimethylcyclohexyl)-4,4-dimethylcycloheptan-1-amine

N-(2,3-dimethylcyclohexyl)-4,4-dimethylcycloheptan-1-amine (PubChem CID 65082404) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-4,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-4,4-dimethylcycloheptan-1-amine
PubChem CID65082404
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-(2,3-dimethylcyclohexyl)-4,4-dimethylcycloheptan-1-amine
SMILESCC1CCCC(NC2CCCC(C)(C)CC2)C1C
InChIInChI=1S/C17H33N/c1-13-7-5-9-16(14(13)2)18-15-8-6-11-17(3,4)12-10-15/h13-16,18H,5-12H2,1-4H3
InChIKeyPYBYBOTWTCPYFC-UHFFFAOYSA-N
XLogP4.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-4,4-dimethylcycloheptan-1-amine?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-4,4-dimethylcycloheptan-1-amine (CID 65082404) is N-(2,3-dimethylcyclohexyl)-4,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-4,4-dimethylcycloheptan-1-amine?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-4,4-dimethylcycloheptan-1-amine is CC1CCCC(NC2CCCC(C)(C)CC2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-4,4-dimethylcycloheptan-1-amine?
The InChIKey is PYBYBOTWTCPYFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-13-7-5-9-16(14(13)2)18-15-8-6-11-17(3,4)12-10-15/h13-16,18H,5-12H2,1-4H3.
What are the key properties of N-(2,3-dimethylcyclohexyl)-4,4-dimethylcycloheptan-1-amine?
N-(2,3-dimethylcyclohexyl)-4,4-dimethylcycloheptan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-4,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 65082404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).