1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(1H-imidazol-5-ylmethyl)methanamine

C13H21N3 — CID 103276866

IUPAC1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(1H-imidazol-5-ylmethyl)methanamine
SMILESCC1=CC(C)CC(CNCc2cnc[nH]2)C1
InChIInChI=1S/C13H21N3/c1-10-3-11(2)5-12(4-10)6-14-7-13-8-15-9-16-13/h3,8-10,12,14H,4-7H2,1-2H3,(H,15,16)
InChIKeyPCLHGIFFEVFZMS-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.49
Rot. Bonds4

About 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(1H-imidazol-5-ylmethyl)methanamine

1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(1H-imidazol-5-ylmethyl)methanamine (PubChem CID 103276866) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(1H-imidazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(1H-imidazol-5-ylmethyl)methanamine
PubChem CID103276866
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(1H-imidazol-5-ylmethyl)methanamine
SMILESCC1=CC(C)CC(CNCc2cnc[nH]2)C1
InChIInChI=1S/C13H21N3/c1-10-3-11(2)5-12(4-10)6-14-7-13-8-15-9-16-13/h3,8-10,12,14H,4-7H2,1-2H3,(H,15,16)
InChIKeyPCLHGIFFEVFZMS-UHFFFAOYSA-N
XLogP2.49
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-1-(3-methylcyclopentyl)methanamine
CID 107411694
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-fluorophenyl)methyl]methanamine
CID 103276026
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-ethylphenyl)methyl]methanamine
CID 106899565
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(3-methylthiophen-2-yl)methyl]methanamine
CID 103276900
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine
CID 103276092
N-[(2-chlorophenyl)methyl]-1-(3,5-dimethylcyclohex-3-en-1-yl)methanamine
CID 103275983
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-[(4-propan-2-ylphenyl)methyl]methanamine
CID 103276706
3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol
CID 106121040
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
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)methanamine
CID 103276129
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]ethanesulfonamide
CID 103276204

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(1H-imidazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(1H-imidazol-5-ylmethyl)methanamine (CID 103276866) is 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(1H-imidazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(1H-imidazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(1H-imidazol-5-ylmethyl)methanamine is CC1=CC(C)CC(CNCc2cnc[nH]2)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(1H-imidazol-5-ylmethyl)methanamine?
The InChIKey is PCLHGIFFEVFZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-10-3-11(2)5-12(4-10)6-14-7-13-8-15-9-16-13/h3,8-10,12,14H,4-7H2,1-2H3,(H,15,16).
What are the key properties of 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(1H-imidazol-5-ylmethyl)methanamine?
1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(1H-imidazol-5-ylmethyl)methanamine has a molecular weight of 219.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohex-3-en-1-yl)-N-(1H-imidazol-5-ylmethyl)methanamine is sourced from PubChem (CID 103276866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).