N-(4,4-dimethylcycloheptyl)-N-ethylpyrrolidin-3-amine

C15H30N2 — CID 65086175

IUPACN-(4,4-dimethylcycloheptyl)-N-ethylpyrrolidin-3-amine
SMILESCCN(C1CCCC(C)(C)CC1)C1CCNC1
InChIInChI=1S/C15H30N2/c1-4-17(14-8-11-16-12-14)13-6-5-9-15(2,3)10-7-13/h13-14,16H,4-12H2,1-3H3
InChIKeyCLSUYYWTWRMNJL-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds3

About N-(4,4-dimethylcycloheptyl)-N-ethylpyrrolidin-3-amine

N-(4,4-dimethylcycloheptyl)-N-ethylpyrrolidin-3-amine (PubChem CID 65086175) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-(4,4-dimethylcycloheptyl)-N-ethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(4,4-dimethylcycloheptyl)-N-ethylpyrrolidin-3-amine
PubChem CID65086175
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-(4,4-dimethylcycloheptyl)-N-ethylpyrrolidin-3-amine
SMILESCCN(C1CCCC(C)(C)CC1)C1CCNC1
InChIInChI=1S/C15H30N2/c1-4-17(14-8-11-16-12-14)13-6-5-9-15(2,3)10-7-13/h13-14,16H,4-12H2,1-3H3
InChIKeyCLSUYYWTWRMNJL-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylcyclopentyl)-N-ethylpyrrolidin-3-amine
CID 80699221
N-cyclohexyl-N-ethylpyrrolidin-3-amine;dihydrochloride
CID 56831616
N-cyclohexyl-N-ethylpyrrolidin-3-amine;hydrochloride
CID 156593457
N-(1,4-dioxaspiro[4.5]decan-8-yl)-N-ethylpiperidin-3-amine
CID 63642751
N-ethyl-N-(4-ethylcyclohexyl)pyrrolidin-3-amine
CID 63299411
N-ethyl-N-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-amine
CID 63299103
N-ethyl-N-(2,4,4-trimethylcyclohexyl)piperidin-3-amine
CID 81320842
N-(2,6-dimethylcyclohexyl)-N-ethylpyrrolidin-3-amine
CID 63299544
N-ethyl-1-propan-2-yl-N-pyrrolidin-3-ylazepan-4-amine
CID 65077931
N-(2-tert-butylcyclohexyl)-N-ethylpyrrolidin-3-amine
CID 63299503
N-ethyl-N-(3,3,5-trimethylcyclohexyl)piperidin-3-amine
CID 63644323
N-cyclohexyl-N-ethylazepan-4-amine
CID 63904813

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcycloheptyl)-N-ethylpyrrolidin-3-amine?
The IUPAC name of N-(4,4-dimethylcycloheptyl)-N-ethylpyrrolidin-3-amine (CID 65086175) is N-(4,4-dimethylcycloheptyl)-N-ethylpyrrolidin-3-amine.
What is the SMILES notation for N-(4,4-dimethylcycloheptyl)-N-ethylpyrrolidin-3-amine?
The canonical SMILES for N-(4,4-dimethylcycloheptyl)-N-ethylpyrrolidin-3-amine is CCN(C1CCCC(C)(C)CC1)C1CCNC1.
What is the InChIKey of N-(4,4-dimethylcycloheptyl)-N-ethylpyrrolidin-3-amine?
The InChIKey is CLSUYYWTWRMNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-17(14-8-11-16-12-14)13-6-5-9-15(2,3)10-7-13/h13-14,16H,4-12H2,1-3H3.
What are the key properties of N-(4,4-dimethylcycloheptyl)-N-ethylpyrrolidin-3-amine?
N-(4,4-dimethylcycloheptyl)-N-ethylpyrrolidin-3-amine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcycloheptyl)-N-ethylpyrrolidin-3-amine is sourced from PubChem (CID 65086175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).