(3S)-1-cyclohexa-1,5-dien-1-yl-N,N-dimethylpyrrolidin-3-amine

C12H20N2 — CID 141079612

IUPAC(3S)-1-cyclohexa-1,5-dien-1-yl-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@H]1CCN(C2=CCCC=C2)C1
InChIInChI=1S/C12H20N2/c1-13(2)12-8-9-14(10-12)11-6-4-3-5-7-11/h4,6-7,12H,3,5,8-10H2,1-2H3/t12-/m0/s1
InChIKeyLNHKQLRBXDMVGU-LBPRGKRZSA-N
MW192.31 g/mol
LogP1.86
Rot. Bonds2

About (3S)-1-cyclohexa-1,5-dien-1-yl-N,N-dimethylpyrrolidin-3-amine

(3S)-1-cyclohexa-1,5-dien-1-yl-N,N-dimethylpyrrolidin-3-amine (PubChem CID 141079612) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (3S)-1-cyclohexa-1,5-dien-1-yl-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-cyclohexa-1,5-dien-1-yl-N,N-dimethylpyrrolidin-3-amine
PubChem CID141079612
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(3S)-1-cyclohexa-1,5-dien-1-yl-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)[C@H]1CCN(C2=CCCC=C2)C1
InChIInChI=1S/C12H20N2/c1-13(2)12-8-9-14(10-12)11-6-4-3-5-7-11/h4,6-7,12H,3,5,8-10H2,1-2H3/t12-/m0/s1
InChIKeyLNHKQLRBXDMVGU-LBPRGKRZSA-N
XLogP1.86
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-pyrrolidin-1-yl-3,6-dihydro-2H-pyridine
CID 11768925
2-[(1-ethylpyrrolidin-2-ylidene)-fluoromethyl]-1-methyl-2H-pyridine
CID 59955801
1-(2-fluorocyclohexa-1,5-dien-1-yl)-N,N-dimethylpyrrolidin-3-amine
CID 141126804
4-Fluoro-1-(1-propan-2-ylpyrrolidin-3-yl)-5,6-dihydroindole
CID 168939762
1,4-Dimethyl-tetrahydroquinoxaline
CID 129781915
1-Butyl-4-(1-pyrolidinyl)-1,2,3,6-tetrahydropyridine
CID 18518179
1-Cyclohexa-1,5-dien-1-ylpyrrolidine;hydrobromide
CID 21642589
1-Cyclohexa-1,5-dien-1-ylpyrrolidine
CID 21642590
1-Cyclohexa-1,5-dien-1-yl-2,5-dimethylpyrrolidine
CID 22733830
1,3-dimethyl-3a,4-dihydro-2H-benzimidazole
CID 66870043
N-cyclohexa-1,5-dien-1-yl-N'-ethyl-N-methyl-N'-propan-2-ylethane-1,2-diamine
CID 68344028
5-Pyrrolidin-1-ylcyclohexa-1,3-diene-1,2-diamine
CID 89280993

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclohexa-1,5-dien-1-yl-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-cyclohexa-1,5-dien-1-yl-N,N-dimethylpyrrolidin-3-amine (CID 141079612) is (3S)-1-cyclohexa-1,5-dien-1-yl-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-cyclohexa-1,5-dien-1-yl-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-cyclohexa-1,5-dien-1-yl-N,N-dimethylpyrrolidin-3-amine is CN(C)[C@H]1CCN(C2=CCCC=C2)C1.
What is the InChIKey of (3S)-1-cyclohexa-1,5-dien-1-yl-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is LNHKQLRBXDMVGU-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H20N2/c1-13(2)12-8-9-14(10-12)11-6-4-3-5-7-11/h4,6-7,12H,3,5,8-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (3S)-1-cyclohexa-1,5-dien-1-yl-N,N-dimethylpyrrolidin-3-amine?
(3S)-1-cyclohexa-1,5-dien-1-yl-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 192.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclohexa-1,5-dien-1-yl-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 141079612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).