3-(3,5-dimethylcyclohexylidene)butan-2-amine

C12H23N — CID 130574513

IUPAC3-(3,5-dimethylcyclohexylidene)butan-2-amine
SMILESCC(=C1CC(C)CC(C)C1)C(C)N
InChIInChI=1S/C12H23N/c1-8-5-9(2)7-12(6-8)10(3)11(4)13/h8-9,11H,5-7,13H2,1-4H3
InChIKeySYMIWUGCIBZYER-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.11
Rot. Bonds1

About 3-(3,5-dimethylcyclohexylidene)butan-2-amine

3-(3,5-dimethylcyclohexylidene)butan-2-amine (PubChem CID 130574513) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-(3,5-dimethylcyclohexylidene)butan-2-amine.

Molecular Properties

Compound Name3-(3,5-dimethylcyclohexylidene)butan-2-amine
PubChem CID130574513
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-(3,5-dimethylcyclohexylidene)butan-2-amine
SMILESCC(=C1CC(C)CC(C)C1)C(C)N
InChIInChI=1S/C12H23N/c1-8-5-9(2)7-12(6-8)10(3)11(4)13/h8-9,11H,5-7,13H2,1-4H3
InChIKeySYMIWUGCIBZYER-UHFFFAOYSA-N
XLogP3.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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

3-cyclohexylidenebutan-2-amine
CID 130574469
(3Z)-1-methyl-3-(3-methylpentan-2-ylidene)cyclopentane
CID 147603807
1-(3,5-dimethylcyclohexyl)propan-2-amine
CID 70312991
1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64737275
(1S)-1-[4-(3,5-dimethylcyclohexyl)oxyphenyl]ethanamine
CID 64734743
cyclobutane;bis(1,3-dimethylcyclobutane);methanamine
CID 159698957
N-(3,5-dimethylcyclohexylidene)hydroxylamine
CID 580917
1-(3,5-dimethylcyclohexyl)propane-1,2-diol
CID 103452734
(3,5-dimethylcyclohexylidene)oxidanium
CID 140563406
(4,4-difluorocyclohexyl)-(3,5-dimethylcyclohexyl)methanamine
CID 105154323
3-amino-2-methyl-N-(3-methylcyclobutyl)-3-phenylpropanamide;hydrochloride
CID 119790806
3-(3,5-dimethylcyclohexyl)butan-2-ol
CID 79423302

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylcyclohexylidene)butan-2-amine?
The IUPAC name of 3-(3,5-dimethylcyclohexylidene)butan-2-amine (CID 130574513) is 3-(3,5-dimethylcyclohexylidene)butan-2-amine.
What is the SMILES notation for 3-(3,5-dimethylcyclohexylidene)butan-2-amine?
The canonical SMILES for 3-(3,5-dimethylcyclohexylidene)butan-2-amine is CC(=C1CC(C)CC(C)C1)C(C)N.
What is the InChIKey of 3-(3,5-dimethylcyclohexylidene)butan-2-amine?
The InChIKey is SYMIWUGCIBZYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-8-5-9(2)7-12(6-8)10(3)11(4)13/h8-9,11H,5-7,13H2,1-4H3.
What are the key properties of 3-(3,5-dimethylcyclohexylidene)butan-2-amine?
3-(3,5-dimethylcyclohexylidene)butan-2-amine has a molecular weight of 181.32 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylcyclohexylidene)butan-2-amine is sourced from PubChem (CID 130574513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).