N-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine

C15H29N — CID 65084515

IUPACN-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine
SMILESCC1(C)CCCC(NCC2CCCC2)CC1
InChIInChI=1S/C15H29N/c1-15(2)10-5-8-14(9-11-15)16-12-13-6-3-4-7-13/h13-14,16H,3-12H2,1-2H3
InChIKeyCZLHFMYQBGKJQP-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.13
Rot. Bonds3

About N-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine

N-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine (PubChem CID 65084515) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine
PubChem CID65084515
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine
SMILESCC1(C)CCCC(NCC2CCCC2)CC1
InChIInChI=1S/C15H29N/c1-15(2)10-5-8-14(9-11-15)16-12-13-6-3-4-7-13/h13-14,16H,3-12H2,1-2H3
InChIKeyCZLHFMYQBGKJQP-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine?
The IUPAC name of N-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine (CID 65084515) is N-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine?
The canonical SMILES for N-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine is CC1(C)CCCC(NCC2CCCC2)CC1.
What is the InChIKey of N-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine?
The InChIKey is CZLHFMYQBGKJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-15(2)10-5-8-14(9-11-15)16-12-13-6-3-4-7-13/h13-14,16H,3-12H2,1-2H3.
What are the key properties of N-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine?
N-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine has a molecular weight of 223.40 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine is sourced from PubChem (CID 65084515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).