1-(2,6-dimethylcyclohex-2-en-1-yl)butan-2-amine

C12H23N — CID 130835898

IUPAC1-(2,6-dimethylcyclohex-2-en-1-yl)butan-2-amine
SMILESCCC(N)CC1C(C)=CCCC1C
InChIInChI=1S/C12H23N/c1-4-11(13)8-12-9(2)6-5-7-10(12)3/h6,10-12H,4-5,7-8,13H2,1-3H3
InChIKeyBVJSCUIVNJJLGO-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.11
Rot. Bonds3

About 1-(2,6-dimethylcyclohex-2-en-1-yl)butan-2-amine

1-(2,6-dimethylcyclohex-2-en-1-yl)butan-2-amine (PubChem CID 130835898) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-(2,6-dimethylcyclohex-2-en-1-yl)butan-2-amine.

Molecular Properties

Compound Name1-(2,6-dimethylcyclohex-2-en-1-yl)butan-2-amine
PubChem CID130835898
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-(2,6-dimethylcyclohex-2-en-1-yl)butan-2-amine
SMILESCCC(N)CC1C(C)=CCCC1C
InChIInChI=1S/C12H23N/c1-4-11(13)8-12-9(2)6-5-7-10(12)3/h6,10-12H,4-5,7-8,13H2,1-3H3
InChIKeyBVJSCUIVNJJLGO-UHFFFAOYSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-2-ethylsulfonyl-N-methylethanamine
CID 100662419
1-methyl-5-(2-methylbutyl)cyclopentene
CID 163754546
(3R)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]-3-methylbutan-1-ol
CID 129445943
(3S)-4-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]-3-methylbutan-1-ol
CID 99696885
(1S)-N-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1-[(3S)-oxolan-3-yl]ethanamine
CID 124864283
1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-4-(1,2,4-triazol-1-yl)piperidine
CID 99832405
(2R,6R)-4-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-6-methylmorpholine-2-carboxamide
CID 129429790
(2S)-1-cyclopentylbutan-2-amine
CID 58736664
N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-imidazol-1-ylethanamine
CID 86799390
4-[[(1S,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-1,4-diazepane-1-carboxamide
CID 129401310
(2S)-4-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]morpholine-2-carboxamide
CID 99790031
1-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 99858017

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylcyclohex-2-en-1-yl)butan-2-amine?
The IUPAC name of 1-(2,6-dimethylcyclohex-2-en-1-yl)butan-2-amine (CID 130835898) is 1-(2,6-dimethylcyclohex-2-en-1-yl)butan-2-amine.
What is the SMILES notation for 1-(2,6-dimethylcyclohex-2-en-1-yl)butan-2-amine?
The canonical SMILES for 1-(2,6-dimethylcyclohex-2-en-1-yl)butan-2-amine is CCC(N)CC1C(C)=CCCC1C.
What is the InChIKey of 1-(2,6-dimethylcyclohex-2-en-1-yl)butan-2-amine?
The InChIKey is BVJSCUIVNJJLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-11(13)8-12-9(2)6-5-7-10(12)3/h6,10-12H,4-5,7-8,13H2,1-3H3.
What are the key properties of 1-(2,6-dimethylcyclohex-2-en-1-yl)butan-2-amine?
1-(2,6-dimethylcyclohex-2-en-1-yl)butan-2-amine has a molecular weight of 181.32 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylcyclohex-2-en-1-yl)butan-2-amine is sourced from PubChem (CID 130835898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).