N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-3-imidazol-1-ylpropan-1-amine

C15H25N3 — CID 86799389

IUPACN-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESCC1=CCCC(C)C1CNCCCn1ccnc1
InChIInChI=1S/C15H25N3/c1-13-5-3-6-14(2)15(13)11-16-7-4-9-18-10-8-17-12-18/h5,8,10,12,14-16H,3-4,6-7,9,11H2,1-2H3
InChIKeyMVTCVCZOEUQRPU-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.86
Rot. Bonds6

About N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-3-imidazol-1-ylpropan-1-amine

N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-3-imidazol-1-ylpropan-1-amine (PubChem CID 86799389) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-3-imidazol-1-ylpropan-1-amine
PubChem CID86799389
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESCC1=CCCC(C)C1CNCCCn1ccnc1
InChIInChI=1S/C15H25N3/c1-13-5-3-6-14(2)15(13)11-16-7-4-9-18-10-8-17-12-18/h5,8,10,12,14-16H,3-4,6-7,9,11H2,1-2H3
InChIKeyMVTCVCZOEUQRPU-UHFFFAOYSA-N
XLogP2.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-imidazol-1-ylethanamine
CID 86799390
N-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 79978907
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 63683145
N-(3-imidazol-1-ylpropyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 61494653
N-[(4-cyclopropylphenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 79979594
N-[(3-chlorocyclohexyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 106122739
3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine
CID 114136924
N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine
CID 53216159
4-imidazol-1-yl-N-(piperidin-3-ylmethyl)butan-1-amine
CID 80555259
N-[(3,3-difluorocyclopentyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 114223797
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 28833138
N-(3-imidazol-1-ylpropyl)-1,3-dimethylpiperidin-4-amine
CID 115704910

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-3-imidazol-1-ylpropan-1-amine (CID 86799389) is N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-3-imidazol-1-ylpropan-1-amine is CC1=CCCC(C)C1CNCCCn1ccnc1.
What is the InChIKey of N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-3-imidazol-1-ylpropan-1-amine?
The InChIKey is MVTCVCZOEUQRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-13-5-3-6-14(2)15(13)11-16-7-4-9-18-10-8-17-12-18/h5,8,10,12,14-16H,3-4,6-7,9,11H2,1-2H3.
What are the key properties of N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-3-imidazol-1-ylpropan-1-amine?
N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-3-imidazol-1-ylpropan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 86799389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).