N-pent-4-ynylpyridin-2-amine

C10H12N2 — CID 103704473

IUPACN-pent-4-ynylpyridin-2-amine
SMILESC#CCCCNc1ccccn1
InChIInChI=1S/C10H12N2/c1-2-3-5-8-11-10-7-4-6-9-12-10/h1,4,6-7,9H,3,5,8H2,(H,11,12)
InChIKeyKDBHMPUIOKWLIE-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.91
Rot. Bonds4

About N-pent-4-ynylpyridin-2-amine

N-pent-4-ynylpyridin-2-amine (PubChem CID 103704473) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N-pent-4-ynylpyridin-2-amine.

Molecular Properties

Compound NameN-pent-4-ynylpyridin-2-amine
PubChem CID103704473
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC NameN-pent-4-ynylpyridin-2-amine
SMILESC#CCCCNc1ccccn1
InChIInChI=1S/C10H12N2/c1-2-3-5-8-11-10-7-4-6-9-12-10/h1,4,6-7,9H,3,5,8H2,(H,11,12)
InChIKeyKDBHMPUIOKWLIE-UHFFFAOYSA-N
XLogP1.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dipyridin-2-ylnonane-1,9-diamine
CID 86213861
N-(3-chloropropyl)pyridin-2-amine
CID 22118637
N-(4-chlorobutyl)pyridin-2-amine
CID 106845032
N-butylpyridin-2-amine
CID 14322668
N-(5-chloropentyl)pyridin-2-amine
CID 107320546
3-(pyridin-2-ylamino)propanenitrile;hydrochloride
CID 139578245
2-fluoro-N-pent-4-ynylpyrimidin-4-amine
CID 164645331
5-bromo-N-pent-4-ynylpyridin-2-amine
CID 103704439
N-ethyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 61020117
N-(2-fluoroethyl)pyridin-2-amine
CID 23204810
N-(4-methylsulfanylbutyl)pyridin-2-amine
CID 115637469
N-hex-5-ynylquinoxalin-2-amine
CID 113255983

Frequently Asked Questions

What is the IUPAC name of N-pent-4-ynylpyridin-2-amine?
The IUPAC name of N-pent-4-ynylpyridin-2-amine (CID 103704473) is N-pent-4-ynylpyridin-2-amine.
What is the SMILES notation for N-pent-4-ynylpyridin-2-amine?
The canonical SMILES for N-pent-4-ynylpyridin-2-amine is C#CCCCNc1ccccn1.
What is the InChIKey of N-pent-4-ynylpyridin-2-amine?
The InChIKey is KDBHMPUIOKWLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-3-5-8-11-10-7-4-6-9-12-10/h1,4,6-7,9H,3,5,8H2,(H,11,12).
What are the key properties of N-pent-4-ynylpyridin-2-amine?
N-pent-4-ynylpyridin-2-amine has a molecular weight of 160.22 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-ynylpyridin-2-amine is sourced from PubChem (CID 103704473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).