N-(2-tert-butylcyclohexyl)-N-ethylpyrrolidin-3-amine

C16H32N2 — CID 63299503

IUPACN-(2-tert-butylcyclohexyl)-N-ethylpyrrolidin-3-amine
SMILESCCN(C1CCNC1)C1CCCCC1C(C)(C)C
InChIInChI=1S/C16H32N2/c1-5-18(13-10-11-17-12-13)15-9-7-6-8-14(15)16(2,3)4/h13-15,17H,5-12H2,1-4H3
InChIKeyGXJBAHFCSVZLEJ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds3

About N-(2-tert-butylcyclohexyl)-N-ethylpyrrolidin-3-amine

N-(2-tert-butylcyclohexyl)-N-ethylpyrrolidin-3-amine (PubChem CID 63299503) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexyl)-N-ethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)-N-ethylpyrrolidin-3-amine
PubChem CID63299503
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-(2-tert-butylcyclohexyl)-N-ethylpyrrolidin-3-amine
SMILESCCN(C1CCNC1)C1CCCCC1C(C)(C)C
InChIInChI=1S/C16H32N2/c1-5-18(13-10-11-17-12-13)15-9-7-6-8-14(15)16(2,3)4/h13-15,17H,5-12H2,1-4H3
InChIKeyGXJBAHFCSVZLEJ-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-N-ethylpyrrolidin-3-amine;dihydrochloride
CID 56831616
N-cyclohexyl-N-ethylpyrrolidin-3-amine;hydrochloride
CID 156593457
N-(4,4-dimethylcycloheptyl)-N-ethylpyrrolidin-3-amine
CID 65086175
N-(3,3-dimethylcyclopentyl)-N-ethylpyrrolidin-3-amine
CID 80699221
N-(2,6-dimethylcyclohexyl)-N-ethylpyrrolidin-3-amine
CID 63299544
N-ethyl-N-(2,4,4-trimethylcyclohexyl)piperidin-3-amine
CID 81320842
N-ethyl-N-(4-ethylcyclohexyl)pyrrolidin-3-amine
CID 63299411
N-ethyl-N-(2-ethylcyclohexyl)azetidin-3-amine
CID 66182710
N-ethyl-N-(3,3,5-trimethylcyclohexyl)pyrrolidin-3-amine
CID 63299103
(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
N-ethyl-1-methyl-N-pyrrolidin-3-ylpyrrolidin-3-amine
CID 63299597
N-(2-ethylcyclohexyl)-N-methylpyrrolidin-3-amine
CID 63863619

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylcyclohexyl)-N-ethylpyrrolidin-3-amine?
The IUPAC name of N-(2-tert-butylcyclohexyl)-N-ethylpyrrolidin-3-amine (CID 63299503) is N-(2-tert-butylcyclohexyl)-N-ethylpyrrolidin-3-amine.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)-N-ethylpyrrolidin-3-amine?
The canonical SMILES for N-(2-tert-butylcyclohexyl)-N-ethylpyrrolidin-3-amine is CCN(C1CCNC1)C1CCCCC1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylcyclohexyl)-N-ethylpyrrolidin-3-amine?
The InChIKey is GXJBAHFCSVZLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-18(13-10-11-17-12-13)15-9-7-6-8-14(15)16(2,3)4/h13-15,17H,5-12H2,1-4H3.
What are the key properties of N-(2-tert-butylcyclohexyl)-N-ethylpyrrolidin-3-amine?
N-(2-tert-butylcyclohexyl)-N-ethylpyrrolidin-3-amine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylcyclohexyl)-N-ethylpyrrolidin-3-amine is sourced from PubChem (CID 63299503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).