N-(cyclohex-3-en-1-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine

C15H25N3 — CID 50951875

IUPACN-(cyclohex-3-en-1-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine
SMILESCC(C)N(Cc1nccn1C)CC1CC=CCC1
InChIInChI=1S/C15H25N3/c1-13(2)18(11-14-7-5-4-6-8-14)12-15-16-9-10-17(15)3/h4-5,9-10,13-14H,6-8,11-12H2,1-3H3
InChIKeyPDSATEZNDDGXPV-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.99
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine

N-(cyclohex-3-en-1-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine (PubChem CID 50951875) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine
PubChem CID50951875
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine
SMILESCC(C)N(Cc1nccn1C)CC1CC=CCC1
InChIInChI=1S/C15H25N3/c1-13(2)18(11-14-7-5-4-6-8-14)12-15-16-9-10-17(15)3/h4-5,9-10,13-14H,6-8,11-12H2,1-3H3
InChIKeyPDSATEZNDDGXPV-UHFFFAOYSA-N
XLogP2.99
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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4-[2-(2-Methylimidazol-1-yl)ethyl]-1-propan-2-ylpiperidine
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Cyclohex-3-enylmethyl-(3-imidazol-1-yl-propyl)-amine
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2-[(Z)-(2-ethylcyclopentylidene)methyl]-1-methylimidazole
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2,2-diallyl-1-[(1-methyl-1H-imidazol-2-yl)methyl]piperidine
CID 47000028
1-(3,7-Dimethyloct-6-en-1-yl)-1H-imidazole
CID 71367182
(cyclohexylmethyl)methyl[3-(1-methyl-1H-imidazol-2-yl)propyl]amine
CID 77090522
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,6-dimethylcyclohex-2-en-1-yl)methanamine
CID 86799407
rac-(3aR,7aS)-2-[2-(2-ethyl-1H-imidazol-1-yl)-1-methylethyl]-2,3,3a,4,7,7a-hexahydro-1H-isoindole
CID 132409145

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine (CID 50951875) is N-(cyclohex-3-en-1-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine is CC(C)N(Cc1nccn1C)CC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine?
The InChIKey is PDSATEZNDDGXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-13(2)18(11-14-7-5-4-6-8-14)12-15-16-9-10-17(15)3/h4-5,9-10,13-14H,6-8,11-12H2,1-3H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine?
N-(cyclohex-3-en-1-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine has a molecular weight of 247.39 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 50951875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).