N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine

C12H23N — CID 103275920

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine
SMILESCCCNCC1CC(C)=CC(C)C1
InChIInChI=1S/C12H23N/c1-4-5-13-9-12-7-10(2)6-11(3)8-12/h6,10,12-13H,4-5,7-9H2,1-3H3
InChIKeyVIHIXFPOOIWOBM-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.98
Rot. Bonds4

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine (PubChem CID 103275920) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine
PubChem CID103275920
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine
SMILESCCCNCC1CC(C)=CC(C)C1
InChIInChI=1S/C12H23N/c1-4-5-13-9-12-7-10(2)6-11(3)8-12/h6,10,12-13H,4-5,7-9H2,1-3H3
InChIKeyVIHIXFPOOIWOBM-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]ethanesulfonamide
CID 103276204
1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine
CID 103276186
N'-butan-2-yl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-N'-methylethane-1,2-diamine
CID 114132609
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-N-ethylethanesulfonamide
CID 106334663
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetic acid
CID 103276172
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-ethylphenyl)methyl]methanamine
CID 106899565
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-2-(2-methylpropoxy)ethanamine
CID 103277136
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 103277162
2-bromo-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]prop-2-en-1-amine
CID 103277074
3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol
CID 106121040
1-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-3-ethylpentan-2-ol
CID 114168296
ethyl 2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]acetate
CID 103276524

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine (CID 103275920) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine is CCCNCC1CC(C)=CC(C)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine?
The InChIKey is VIHIXFPOOIWOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-5-13-9-12-7-10(2)6-11(3)8-12/h6,10,12-13H,4-5,7-9H2,1-3H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]propan-1-amine is sourced from PubChem (CID 103275920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).