N-(cycloheptylmethyl)-2,2-dimethylcyclohexan-1-amine

C16H31N — CID 79860846

IUPACN-(cycloheptylmethyl)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1NCC1CCCCCC1
InChIInChI=1S/C16H31N/c1-16(2)12-8-7-11-15(16)17-13-14-9-5-3-4-6-10-14/h14-15,17H,3-13H2,1-2H3
InChIKeyYXSVRTLCQVKGHD-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.52
Rot. Bonds3

About N-(cycloheptylmethyl)-2,2-dimethylcyclohexan-1-amine

N-(cycloheptylmethyl)-2,2-dimethylcyclohexan-1-amine (PubChem CID 79860846) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-(cycloheptylmethyl)-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(cycloheptylmethyl)-2,2-dimethylcyclohexan-1-amine
PubChem CID79860846
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-(cycloheptylmethyl)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1NCC1CCCCCC1
InChIInChI=1S/C16H31N/c1-16(2)12-8-7-11-15(16)17-13-14-9-5-3-4-6-10-14/h14-15,17H,3-13H2,1-2H3
InChIKeyYXSVRTLCQVKGHD-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylmethyl)-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-(cycloheptylmethyl)-2,2-dimethylcyclohexan-1-amine (CID 79860846) is N-(cycloheptylmethyl)-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(cycloheptylmethyl)-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(cycloheptylmethyl)-2,2-dimethylcyclohexan-1-amine is CC1(C)CCCCC1NCC1CCCCCC1.
What is the InChIKey of N-(cycloheptylmethyl)-2,2-dimethylcyclohexan-1-amine?
The InChIKey is YXSVRTLCQVKGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-16(2)12-8-7-11-15(16)17-13-14-9-5-3-4-6-10-14/h14-15,17H,3-13H2,1-2H3.
What are the key properties of N-(cycloheptylmethyl)-2,2-dimethylcyclohexan-1-amine?
N-(cycloheptylmethyl)-2,2-dimethylcyclohexan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylmethyl)-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79860846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).