(3S)-1-(4-aminocyclohex-3-en-1-yl)-N,N-dimethylpyrrolidin-3-amine

C12H23N3 — CID 70653035

IUPAC(3S)-1-(4-aminocyclohex-3-en-1-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@H]1CCN(C2CC=C(N)CC2)C1
InChIInChI=1S/C12H23N3/c1-14(2)12-7-8-15(9-12)11-5-3-10(13)4-6-11/h3,11-12H,4-9,13H2,1-2H3/t11?,12-/m0/s1
InChIKeyYTASUTIFJLOVNJ-KIYNQFGBSA-N
MW209.34 g/mol
LogP1.02
Rot. Bonds2

About (3S)-1-(4-aminocyclohex-3-en-1-yl)-N,N-dimethylpyrrolidin-3-amine

(3S)-1-(4-aminocyclohex-3-en-1-yl)-N,N-dimethylpyrrolidin-3-amine (PubChem CID 70653035) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is (3S)-1-(4-aminocyclohex-3-en-1-yl)-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(4-aminocyclohex-3-en-1-yl)-N,N-dimethylpyrrolidin-3-amine
PubChem CID70653035
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name(3S)-1-(4-aminocyclohex-3-en-1-yl)-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@H]1CCN(C2CC=C(N)CC2)C1
InChIInChI=1S/C12H23N3/c1-14(2)12-7-8-15(9-12)11-5-3-10(13)4-6-11/h3,11-12H,4-9,13H2,1-2H3/t11?,12-/m0/s1
InChIKeyYTASUTIFJLOVNJ-KIYNQFGBSA-N
XLogP1.02
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Methyl-1-pyrrolidinyl)cyclohexene
CID 4674520
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
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
1-(1-Cyclohexenyl)-methyl-2-aminomethylpyrrolidine
CID 21268519
(1-Cyclohex-2-en-1-ylpyrrolidin-2-yl)methanamine
CID 54294380
N-propyl-4-pyrrolidin-1-ylcyclohex-3-en-1-amine
CID 59779368
N-methyl-1-pyrrolidin-2-ylprop-1-en-1-amine
CID 67758241
1-N,1-N-dimethyl-4-N-prop-1-en-2-ylcyclohexene-1,4-diamine
CID 68376150
(1R,6R)-6-(1-methylpyrrolidin-1-ium-1-yl)cyclohex-3-en-1-amine
CID 70492431

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-aminocyclohex-3-en-1-yl)-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-(4-aminocyclohex-3-en-1-yl)-N,N-dimethylpyrrolidin-3-amine (CID 70653035) is (3S)-1-(4-aminocyclohex-3-en-1-yl)-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-(4-aminocyclohex-3-en-1-yl)-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-(4-aminocyclohex-3-en-1-yl)-N,N-dimethylpyrrolidin-3-amine is CN(C)[C@H]1CCN(C2CC=C(N)CC2)C1.
What is the InChIKey of (3S)-1-(4-aminocyclohex-3-en-1-yl)-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is YTASUTIFJLOVNJ-KIYNQFGBSA-N. The full InChI is InChI=1S/C12H23N3/c1-14(2)12-7-8-15(9-12)11-5-3-10(13)4-6-11/h3,11-12H,4-9,13H2,1-2H3/t11?,12-/m0/s1.
What are the key properties of (3S)-1-(4-aminocyclohex-3-en-1-yl)-N,N-dimethylpyrrolidin-3-amine?
(3S)-1-(4-aminocyclohex-3-en-1-yl)-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 209.34 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-aminocyclohex-3-en-1-yl)-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 70653035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).