3-cyclopropyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine

C15H25N3 — CID 115708654

IUPAC3-cyclopropyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
SMILESc1cnn(CCCNC2CCCC(C3CC3)C2)c1
InChIInChI=1S/C15H25N3/c1-4-14(13-6-7-13)12-15(5-1)16-8-2-10-18-11-3-9-17-18/h3,9,11,13-16H,1-2,4-8,10,12H2
InChIKeyJXVXZAFUXNPPQT-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.83
Rot. Bonds6

About 3-cyclopropyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine

3-cyclopropyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine (PubChem CID 115708654) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 3-cyclopropyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
PubChem CID115708654
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name3-cyclopropyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
SMILESc1cnn(CCCNC2CCCC(C3CC3)C2)c1
InChIInChI=1S/C15H25N3/c1-4-14(13-6-7-13)12-15(5-1)16-8-2-10-18-11-3-9-17-18/h3,9,11,13-16H,1-2,4-8,10,12H2
InChIKeyJXVXZAFUXNPPQT-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,3S)-3-(3-pyrazol-1-ylpropylamino)cyclohexane-1-carbonitrile
CID 99777730
1-N-(2-pyrazol-1-ylethyl)cyclohexane-1,3-diamine
CID 79458214
4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
CID 115651935
1-ethyl-N-(3-pyrazol-1-ylpropyl)azepan-4-amine
CID 113412467
N-(2-pyrazol-1-ylethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759430
3-cyclopropyl-N-pentylcyclohexan-1-amine
CID 64596400
N-(3-pyrazol-1-ylpropyl)cyclohex-2-en-1-amine
CID 107907905
4-(3-pyrazol-1-ylpropylamino)piperidine-1-carboxamide
CID 112698622
2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine
CID 91636175
trans-(1R,2R)-2-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)cyclopentan-1-amine
CID 99638037
(3S)-1-[(2-fluorophenyl)methyl]-N-(3-pyrazol-1-ylpropyl)piperidin-3-amine
CID 28954232
1-methyl-N-(3-pyrazol-1-ylpropyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 115708690

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine?
The IUPAC name of 3-cyclopropyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine (CID 115708654) is 3-cyclopropyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine.
What is the SMILES notation for 3-cyclopropyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine?
The canonical SMILES for 3-cyclopropyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine is c1cnn(CCCNC2CCCC(C3CC3)C2)c1.
What is the InChIKey of 3-cyclopropyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine?
The InChIKey is JXVXZAFUXNPPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-4-14(13-6-7-13)12-15(5-1)16-8-2-10-18-11-3-9-17-18/h3,9,11,13-16H,1-2,4-8,10,12H2.
What are the key properties of 3-cyclopropyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine?
3-cyclopropyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine has a molecular weight of 247.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine is sourced from PubChem (CID 115708654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).