N-ethyl-3-methyl-3-(3-methylcyclohexyl)cyclopentan-1-amine

C15H29N — CID 116539474

IUPACN-ethyl-3-methyl-3-(3-methylcyclohexyl)cyclopentan-1-amine
SMILESCCNC1CCC(C)(C2CCCC(C)C2)C1
InChIInChI=1S/C15H29N/c1-4-16-14-8-9-15(3,11-14)13-7-5-6-12(2)10-13/h12-14,16H,4-11H2,1-3H3
InChIKeyIMJZYTZMWHJPCI-UHFFFAOYSA-N
MW223.40 g/mol
LogP3.98
Rot. Bonds3

About N-ethyl-3-methyl-3-(3-methylcyclohexyl)cyclopentan-1-amine

N-ethyl-3-methyl-3-(3-methylcyclohexyl)cyclopentan-1-amine (PubChem CID 116539474) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-ethyl-3-methyl-3-(3-methylcyclohexyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methyl-3-(3-methylcyclohexyl)cyclopentan-1-amine
PubChem CID116539474
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-ethyl-3-methyl-3-(3-methylcyclohexyl)cyclopentan-1-amine
SMILESCCNC1CCC(C)(C2CCCC(C)C2)C1
InChIInChI=1S/C15H29N/c1-4-16-14-8-9-15(3,11-14)13-7-5-6-12(2)10-13/h12-14,16H,4-11H2,1-3H3
InChIKeyIMJZYTZMWHJPCI-UHFFFAOYSA-N
XLogP3.98
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 ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methyl-3-(3-methylcyclohexyl)cyclopentan-1-amine?
The IUPAC name of N-ethyl-3-methyl-3-(3-methylcyclohexyl)cyclopentan-1-amine (CID 116539474) is N-ethyl-3-methyl-3-(3-methylcyclohexyl)cyclopentan-1-amine.
What is the SMILES notation for N-ethyl-3-methyl-3-(3-methylcyclohexyl)cyclopentan-1-amine?
The canonical SMILES for N-ethyl-3-methyl-3-(3-methylcyclohexyl)cyclopentan-1-amine is CCNC1CCC(C)(C2CCCC(C)C2)C1.
What is the InChIKey of N-ethyl-3-methyl-3-(3-methylcyclohexyl)cyclopentan-1-amine?
The InChIKey is IMJZYTZMWHJPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-4-16-14-8-9-15(3,11-14)13-7-5-6-12(2)10-13/h12-14,16H,4-11H2,1-3H3.
What are the key properties of N-ethyl-3-methyl-3-(3-methylcyclohexyl)cyclopentan-1-amine?
N-ethyl-3-methyl-3-(3-methylcyclohexyl)cyclopentan-1-amine has a molecular weight of 223.40 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methyl-3-(3-methylcyclohexyl)cyclopentan-1-amine is sourced from PubChem (CID 116539474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).