N-(cyclohex-3-en-1-ylmethyl)-N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine

C20H29N5 — CID 16677043

IUPACN-(cyclohex-3-en-1-ylmethyl)-N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESC=Cn1ncc(CN(CCCn2ccnc2)CC2CC=CCC2)c1C
InChIInChI=1S/C20H29N5/c1-3-25-18(2)20(14-22-25)16-24(15-19-8-5-4-6-9-19)12-7-11-23-13-10-21-17-23/h3-5,10,13-14,17,19H,1,6-9,11-12,15-16H2,2H3
InChIKeyLIYAXQDCXWCWDK-UHFFFAOYSA-N
MW339.49 g/mol
LogP3.74
Rot. Bonds9

About N-(cyclohex-3-en-1-ylmethyl)-N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine

N-(cyclohex-3-en-1-ylmethyl)-N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine (PubChem CID 16677043) has the molecular formula C20H29N5 and a molecular weight of 339.49 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine
PubChem CID16677043
Molecular FormulaC20H29N5
Molecular Weight339.49 g/mol
Exact Mass339.24
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine
SMILESC=Cn1ncc(CN(CCCn2ccnc2)CC2CC=CCC2)c1C
InChIInChI=1S/C20H29N5/c1-3-25-18(2)20(14-22-25)16-24(15-19-8-5-4-6-9-19)12-7-11-23-13-10-21-17-23/h3-5,10,13-14,17,19H,1,6-9,11-12,15-16H2,2H3
InChIKeyLIYAXQDCXWCWDK-UHFFFAOYSA-N
XLogP3.74
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine (CID 16677043) is N-(cyclohex-3-en-1-ylmethyl)-N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine is C=Cn1ncc(CN(CCCn2ccnc2)CC2CC=CCC2)c1C.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine?
The InChIKey is LIYAXQDCXWCWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5/c1-3-25-18(2)20(14-22-25)16-24(15-19-8-5-4-6-9-19)12-7-11-23-13-10-21-17-23/h3-5,10,13-14,17,19H,1,6-9,11-12,15-16H2,2H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine has a molecular weight of 339.49 g/mol, XLogP of 3.74, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-N-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 16677043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).