N-(3-pyrazol-1-ylpropyl)cyclohex-2-en-1-amine

C12H19N3 — CID 107907905

IUPACN-(3-pyrazol-1-ylpropyl)cyclohex-2-en-1-amine
SMILESC1=CC(NCCCn2cccn2)CCC1
InChIInChI=1S/C12H19N3/c1-2-6-12(7-3-1)13-8-4-10-15-11-5-9-14-15/h2,5-6,9,11-13H,1,3-4,7-8,10H2
InChIKeyQJPAHNMAQRUKOB-UHFFFAOYSA-N
MW205.31 g/mol
LogP1.97
Rot. Bonds5

About N-(3-pyrazol-1-ylpropyl)cyclohex-2-en-1-amine

N-(3-pyrazol-1-ylpropyl)cyclohex-2-en-1-amine (PubChem CID 107907905) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is N-(3-pyrazol-1-ylpropyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(3-pyrazol-1-ylpropyl)cyclohex-2-en-1-amine
PubChem CID107907905
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC NameN-(3-pyrazol-1-ylpropyl)cyclohex-2-en-1-amine
SMILESC1=CC(NCCCn2cccn2)CCC1
InChIInChI=1S/C12H19N3/c1-2-6-12(7-3-1)13-8-4-10-15-11-5-9-14-15/h2,5-6,9,11-13H,1,3-4,7-8,10H2
InChIKeyQJPAHNMAQRUKOB-UHFFFAOYSA-N
XLogP1.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(triazol-1-yl)ethyl]cyclohex-2-en-1-amine
CID 107907909
4-methyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
CID 115651935
3-cyclopropyl-N-(3-pyrazol-1-ylpropyl)cyclohexan-1-amine
CID 115708654
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohex-2-en-1-amine
CID 107906360
1-ethyl-N-(3-pyrazol-1-ylpropyl)azepan-4-amine
CID 113412467
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
cis-(1R,3S)-3-(3-pyrazol-1-ylpropylamino)cyclohexane-1-carbonitrile
CID 99777730
4-(3-pyrazol-1-ylpropylamino)piperidine-1-carboxamide
CID 112698622
N-(5-methylhexyl)cyclohex-2-en-1-amine
CID 107907594
5-(cyclohex-2-en-1-ylamino)pentan-2-ol
CID 106131433
N-(dicyclopropylmethyl)-3-pyrazol-1-ylpropan-1-amine
CID 115708587

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrazol-1-ylpropyl)cyclohex-2-en-1-amine?
The IUPAC name of N-(3-pyrazol-1-ylpropyl)cyclohex-2-en-1-amine (CID 107907905) is N-(3-pyrazol-1-ylpropyl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-(3-pyrazol-1-ylpropyl)cyclohex-2-en-1-amine?
The canonical SMILES for N-(3-pyrazol-1-ylpropyl)cyclohex-2-en-1-amine is C1=CC(NCCCn2cccn2)CCC1.
What is the InChIKey of N-(3-pyrazol-1-ylpropyl)cyclohex-2-en-1-amine?
The InChIKey is QJPAHNMAQRUKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-6-12(7-3-1)13-8-4-10-15-11-5-9-14-15/h2,5-6,9,11-13H,1,3-4,7-8,10H2.
What are the key properties of N-(3-pyrazol-1-ylpropyl)cyclohex-2-en-1-amine?
N-(3-pyrazol-1-ylpropyl)cyclohex-2-en-1-amine has a molecular weight of 205.31 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrazol-1-ylpropyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 107907905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).