1-[1-(cyclohexen-1-yl)pyrrolidin-2-yl]ethanamine

C12H22N2 — CID 174260789

IUPAC1-[1-(cyclohexen-1-yl)pyrrolidin-2-yl]ethanamine
SMILESCC(N)C1CCCN1C1=CCCCC1
InChIInChI=1S/C12H22N2/c1-10(13)12-8-5-9-14(12)11-6-3-2-4-7-11/h6,10,12H,2-5,7-9,13H2,1H3
InChIKeyXUIOYZLRHCYMSP-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.26
Rot. Bonds2

About 1-[1-(cyclohexen-1-yl)pyrrolidin-2-yl]ethanamine

1-[1-(cyclohexen-1-yl)pyrrolidin-2-yl]ethanamine (PubChem CID 174260789) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-[1-(cyclohexen-1-yl)pyrrolidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(cyclohexen-1-yl)pyrrolidin-2-yl]ethanamine
PubChem CID174260789
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-[1-(cyclohexen-1-yl)pyrrolidin-2-yl]ethanamine
SMILESCC(N)C1CCCN1C1=CCCCC1
InChIInChI=1S/C12H22N2/c1-10(13)12-8-5-9-14(12)11-6-3-2-4-7-11/h6,10,12H,2-5,7-9,13H2,1H3
InChIKeyXUIOYZLRHCYMSP-UHFFFAOYSA-N
XLogP2.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Methyl-1-pyrrolidinyl)cyclohexene
CID 4674520
1-(1-Cyclohexen-1-ylmethyl)pyrrolidine-2-methylamine
CID 3018317
(4S)-4-N-(2-fluoroethyl)-1-N,1-N-dimethylcyclohexene-1,4-diamine
CID 167068198
(Z)-N,N-dimethyl-1-[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-2-yl]pent-1-en-1-amine;ethane
CID 172335254
4-(3,3-Difluoropyrrolidin-1-yl)cyclohexen-1-amine
CID 174318047
(2R,5R)-1-(cyclohexen-1-yl)-2,5-dimethylpyrrolidine
CID 13541757
(2R)-1-(cyclohexen-1-yl)-2-methylpyrrolidine
CID 92197461
Tropenium bromide
CID 129693839
1-(2-Cyclohexylideneethyl)pyrrolidine-2-methylamine
CID 3024075
(Z)-N,N-dimethyl-1-[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-2-yl]pent-1-en-1-amine
CID 172335255
N-methyl-6-pyrrolidin-1-ylcyclohex-3-en-1-amine
CID 13606281
(1R,6R)-N-methyl-6-pyrrolidin-1-ylcyclohex-3-en-1-amine
CID 13606282

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexen-1-yl)pyrrolidin-2-yl]ethanamine?
The IUPAC name of 1-[1-(cyclohexen-1-yl)pyrrolidin-2-yl]ethanamine (CID 174260789) is 1-[1-(cyclohexen-1-yl)pyrrolidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-(cyclohexen-1-yl)pyrrolidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-(cyclohexen-1-yl)pyrrolidin-2-yl]ethanamine is CC(N)C1CCCN1C1=CCCCC1.
What is the InChIKey of 1-[1-(cyclohexen-1-yl)pyrrolidin-2-yl]ethanamine?
The InChIKey is XUIOYZLRHCYMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-10(13)12-8-5-9-14(12)11-6-3-2-4-7-11/h6,10,12H,2-5,7-9,13H2,1H3.
What are the key properties of 1-[1-(cyclohexen-1-yl)pyrrolidin-2-yl]ethanamine?
1-[1-(cyclohexen-1-yl)pyrrolidin-2-yl]ethanamine has a molecular weight of 194.32 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexen-1-yl)pyrrolidin-2-yl]ethanamine is sourced from PubChem (CID 174260789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).