2-(cyclopentylmethoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine

C16H31NO — CID 66321323

IUPAC2-(cyclopentylmethoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1OCC1CCCC1
InChIInChI=1S/C16H31NO/c1-4-17-14-9-10-16(2,3)11-15(14)18-12-13-7-5-6-8-13/h13-15,17H,4-12H2,1-3H3
InChIKeyMBESQOSQACFWIA-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds5

About 2-(cyclopentylmethoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine

2-(cyclopentylmethoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine (PubChem CID 66321323) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-(cyclopentylmethoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(cyclopentylmethoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine
PubChem CID66321323
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-(cyclopentylmethoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1OCC1CCCC1
InChIInChI=1S/C16H31NO/c1-4-17-14-9-10-16(2,3)11-15(14)18-12-13-7-5-6-8-13/h13-15,17H,4-12H2,1-3H3
InChIKeyMBESQOSQACFWIA-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(cyclopentylmethoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine (CID 66321323) is 2-(cyclopentylmethoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(cyclopentylmethoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(cyclopentylmethoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine is CCNC1CCC(C)(C)CC1OCC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine?
The InChIKey is MBESQOSQACFWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-17-14-9-10-16(2,3)11-15(14)18-12-13-7-5-6-8-13/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 2-(cyclopentylmethoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine?
2-(cyclopentylmethoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethoxy)-N-ethyl-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 66321323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).