N-(3-pyrazol-1-ylpropyl)hept-6-en-3-amine

C13H23N3 — CID 115708651

IUPACN-(3-pyrazol-1-ylpropyl)hept-6-en-3-amine
SMILESC=CCCC(CC)NCCCn1cccn1
InChIInChI=1S/C13H23N3/c1-3-5-8-13(4-2)14-9-6-11-16-12-7-10-15-16/h3,7,10,12-14H,1,4-6,8-9,11H2,2H3
InChIKeyCSVWPELEWLCYCC-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.61
Rot. Bonds9

About N-(3-pyrazol-1-ylpropyl)hept-6-en-3-amine

N-(3-pyrazol-1-ylpropyl)hept-6-en-3-amine (PubChem CID 115708651) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-(3-pyrazol-1-ylpropyl)hept-6-en-3-amine.

Molecular Properties

Compound NameN-(3-pyrazol-1-ylpropyl)hept-6-en-3-amine
PubChem CID115708651
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-(3-pyrazol-1-ylpropyl)hept-6-en-3-amine
SMILESC=CCCC(CC)NCCCn1cccn1
InChIInChI=1S/C13H23N3/c1-3-5-8-13(4-2)14-9-6-11-16-12-7-10-15-16/h3,7,10,12-14H,1,4-6,8-9,11H2,2H3
InChIKeyCSVWPELEWLCYCC-UHFFFAOYSA-N
XLogP2.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.61
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

1-hept-6-enylpyrazole
CID 107010190
N-(2-pyrazol-1-ylethyl)heptan-4-amine
CID 61460010
N-(3-pyrazol-1-ylpropyl)octan-2-amine
CID 112700088
(3S)-N-[(2-methylpyrazol-3-yl)methyl]hept-6-en-3-amine
CID 97229982
3-methoxy-N-(3-pyrazol-1-ylpropyl)butan-2-amine
CID 115708657
N-(dicyclopropylmethyl)-3-pyrazol-1-ylpropan-1-amine
CID 115708587
N-[1-(1-methylcyclopropyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708660
N-[1-(4-propan-2-ylphenyl)ethyl]-3-pyrazol-1-ylpropan-1-amine
CID 115708568
1-(4-bromophenyl)-N-(3-pyrazol-1-ylpropyl)propan-1-amine
CID 112700089
N-[2-(hept-6-en-3-ylamino)ethyl]-2-methylpropanamide
CID 115706536
N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine
CID 115976552
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-pyrazol-1-ylpropan-1-amine
CID 131952072

Frequently Asked Questions

What is the IUPAC name of N-(3-pyrazol-1-ylpropyl)hept-6-en-3-amine?
The IUPAC name of N-(3-pyrazol-1-ylpropyl)hept-6-en-3-amine (CID 115708651) is N-(3-pyrazol-1-ylpropyl)hept-6-en-3-amine.
What is the SMILES notation for N-(3-pyrazol-1-ylpropyl)hept-6-en-3-amine?
The canonical SMILES for N-(3-pyrazol-1-ylpropyl)hept-6-en-3-amine is C=CCCC(CC)NCCCn1cccn1.
What is the InChIKey of N-(3-pyrazol-1-ylpropyl)hept-6-en-3-amine?
The InChIKey is CSVWPELEWLCYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-5-8-13(4-2)14-9-6-11-16-12-7-10-15-16/h3,7,10,12-14H,1,4-6,8-9,11H2,2H3.
What are the key properties of N-(3-pyrazol-1-ylpropyl)hept-6-en-3-amine?
N-(3-pyrazol-1-ylpropyl)hept-6-en-3-amine has a molecular weight of 221.35 g/mol, XLogP of 2.61, 9 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)hept-6-en-3-amine is sourced from PubChem (CID 115708651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).