N-ethyl-N-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-amine

C15H30N2 — CID 63299103

IUPACN-ethyl-N-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-amine
SMILESCCN(C1CCNC1)C1CC(C)CC(C)(C)C1
InChIInChI=1S/C15H30N2/c1-5-17(13-6-7-16-11-13)14-8-12(2)9-15(3,4)10-14/h12-14,16H,5-11H2,1-4H3
InChIKeyGMNCOCOWKTYYHZ-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.88
Rot. Bonds3

About N-ethyl-N-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-amine

N-ethyl-N-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-amine (PubChem CID 63299103) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-ethyl-N-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-amine
PubChem CID63299103
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-ethyl-N-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-amine
SMILESCCN(C1CCNC1)C1CC(C)CC(C)(C)C1
InChIInChI=1S/C15H30N2/c1-5-17(13-6-7-16-11-13)14-8-12(2)9-15(3,4)10-14/h12-14,16H,5-11H2,1-4H3
InChIKeyGMNCOCOWKTYYHZ-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(3,3,5-trimethylcyclohexyl)piperidin-3-amine
CID 63644323
N-(3,3-dimethylcyclopentyl)-N-ethylpyrrolidin-3-amine
CID 80699221
N-(4,4-dimethylcycloheptyl)-N-ethylpyrrolidin-3-amine
CID 65086175
N-methyl-N-(3,3,5-trimethylcyclohexyl)piperidin-3-amine
CID 55249503
N-(3-methylcyclobutyl)-N-propylpyrrolidin-3-amine
CID 104973725
N-cyclohexyl-N-ethylpyrrolidin-3-amine;dihydrochloride
CID 56831616
N-cyclohexyl-N-ethylpyrrolidin-3-amine;hydrochloride
CID 156593457
N-(3,5-dimethylcyclohexyl)-N-propylpyrrolidin-3-amine
CID 64751703
N-ethyl-N-(4-ethylcyclohexyl)pyrrolidin-3-amine
CID 63299411
N-(2,6-dimethylcyclohexyl)-N-ethylpyrrolidin-3-amine
CID 63299544
N-(3-methylcyclohexyl)-N-propylpyrrolidin-3-amine
CID 63300868
N-ethyl-N-(3-methylcyclohexyl)azetidin-3-amine
CID 66182084

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-amine?
The IUPAC name of N-ethyl-N-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-amine (CID 63299103) is N-ethyl-N-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-amine.
What is the SMILES notation for N-ethyl-N-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-amine?
The canonical SMILES for N-ethyl-N-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-amine is CCN(C1CCNC1)C1CC(C)CC(C)(C)C1.
What is the InChIKey of N-ethyl-N-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-amine?
The InChIKey is GMNCOCOWKTYYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-5-17(13-6-7-16-11-13)14-8-12(2)9-15(3,4)10-14/h12-14,16H,5-11H2,1-4H3.
What are the key properties of N-ethyl-N-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-amine?
N-ethyl-N-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-amine has a molecular weight of 238.42 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-amine is sourced from PubChem (CID 63299103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).