N-(cyclohex-3-en-1-ylmethyl)-1-(1-methylpyrazol-4-yl)propan-1-amine

C14H23N3 — CID 86779459

IUPACN-(cyclohex-3-en-1-ylmethyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCCC(NCC1CC=CCC1)c1cnn(C)c1
InChIInChI=1S/C14H23N3/c1-3-14(13-10-16-17(2)11-13)15-9-12-7-5-4-6-8-12/h4-5,10-12,14-15H,3,6-9H2,1-2H3
InChIKeyJPPDOLXTYOMHSS-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.82
Rot. Bonds5

About N-(cyclohex-3-en-1-ylmethyl)-1-(1-methylpyrazol-4-yl)propan-1-amine

N-(cyclohex-3-en-1-ylmethyl)-1-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 86779459) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-1-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID86779459
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCCC(NCC1CC=CCC1)c1cnn(C)c1
InChIInChI=1S/C14H23N3/c1-3-14(13-10-16-17(2)11-13)15-9-12-7-5-4-6-8-12/h4-5,10-12,14-15H,3,6-9H2,1-2H3
InChIKeyJPPDOLXTYOMHSS-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-1-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-1-(1-methylpyrazol-4-yl)propan-1-amine (CID 86779459) is N-(cyclohex-3-en-1-ylmethyl)-1-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-1-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-1-(1-methylpyrazol-4-yl)propan-1-amine is CCC(NCC1CC=CCC1)c1cnn(C)c1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-1-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is JPPDOLXTYOMHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-14(13-10-16-17(2)11-13)15-9-12-7-5-4-6-8-12/h4-5,10-12,14-15H,3,6-9H2,1-2H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-1-(1-methylpyrazol-4-yl)propan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-1-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-1-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 86779459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).