N-(2-pyrazol-1-ylethyl)hex-1-yn-3-amine

C11H17N3 — CID 106230031

IUPACN-(2-pyrazol-1-ylethyl)hex-1-yn-3-amine
SMILESC#CC(CCC)NCCn1cccn1
InChIInChI=1S/C11H17N3/c1-3-6-11(4-2)12-8-10-14-9-5-7-13-14/h2,5,7,9,11-12H,3,6,8,10H2,1H3
InChIKeyRDMBYFSUGNCMAU-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.27
Rot. Bonds6

About N-(2-pyrazol-1-ylethyl)hex-1-yn-3-amine

N-(2-pyrazol-1-ylethyl)hex-1-yn-3-amine (PubChem CID 106230031) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylethyl)hex-1-yn-3-amine.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylethyl)hex-1-yn-3-amine
PubChem CID106230031
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN-(2-pyrazol-1-ylethyl)hex-1-yn-3-amine
SMILESC#CC(CCC)NCCn1cccn1
InChIInChI=1S/C11H17N3/c1-3-6-11(4-2)12-8-10-14-9-5-7-13-14/h2,5,7,9,11-12H,3,6,8,10H2,1H3
InChIKeyRDMBYFSUGNCMAU-UHFFFAOYSA-N
XLogP1.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-pyrazol-1-ylethyl)heptan-4-amine
CID 61460010
4-methyl-N-(2-pyrazol-1-ylethyl)heptan-3-amine
CID 115888843
N-[(4-pyrazol-1-ylphenyl)methyl]hex-1-yn-3-amine
CID 107234255
1-chloro-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 65025560
2-methyl-N-(2-pyrazol-1-ylethyl)pentan-3-amine
CID 61459650
N-[(1-methylpyrazol-4-yl)methyl]hex-1-yn-3-amine
CID 107234285
1-iodo-3-methyl-N-(2-pyrazol-1-ylethyl)butan-2-amine
CID 107859401
2-(2-pyrazol-1-ylethylamino)hexanoic acid
CID 103247140
4-methyl-3-(2-pyrazol-1-ylethylamino)pentan-1-ol
CID 104891912
2-methyl-3-(2-pyrazol-1-ylethylamino)butan-2-ol
CID 65337680
1-(pent-1-yn-3-ylamino)-3-pyrazol-1-ylpropan-2-ol
CID 106229335
N-(4-pyrazol-1-ylbutan-2-yl)pentan-1-amine
CID 115976552

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylethyl)hex-1-yn-3-amine?
The IUPAC name of N-(2-pyrazol-1-ylethyl)hex-1-yn-3-amine (CID 106230031) is N-(2-pyrazol-1-ylethyl)hex-1-yn-3-amine.
What is the SMILES notation for N-(2-pyrazol-1-ylethyl)hex-1-yn-3-amine?
The canonical SMILES for N-(2-pyrazol-1-ylethyl)hex-1-yn-3-amine is C#CC(CCC)NCCn1cccn1.
What is the InChIKey of N-(2-pyrazol-1-ylethyl)hex-1-yn-3-amine?
The InChIKey is RDMBYFSUGNCMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-3-6-11(4-2)12-8-10-14-9-5-7-13-14/h2,5,7,9,11-12H,3,6,8,10H2,1H3.
What are the key properties of N-(2-pyrazol-1-ylethyl)hex-1-yn-3-amine?
N-(2-pyrazol-1-ylethyl)hex-1-yn-3-amine has a molecular weight of 191.28 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylethyl)hex-1-yn-3-amine is sourced from PubChem (CID 106230031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).