N-(pyridin-4-ylmethyl)pent-3-yn-1-amine

C11H14N2 — CID 104806169

IUPACN-(pyridin-4-ylmethyl)pent-3-yn-1-amine
SMILESCC#CCCNCc1ccncc1
InChIInChI=1S/C11H14N2/c1-2-3-4-7-13-10-11-5-8-12-9-6-11/h5-6,8-9,13H,4,7,10H2,1H3
InChIKeyOKCBLPKXWLGJSY-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.58
Rot. Bonds4

About N-(pyridin-4-ylmethyl)pent-3-yn-1-amine

N-(pyridin-4-ylmethyl)pent-3-yn-1-amine (PubChem CID 104806169) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)pent-3-yn-1-amine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)pent-3-yn-1-amine
PubChem CID104806169
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC NameN-(pyridin-4-ylmethyl)pent-3-yn-1-amine
SMILESCC#CCCNCc1ccncc1
InChIInChI=1S/C11H14N2/c1-2-3-4-7-13-10-11-5-8-12-9-6-11/h5-6,8-9,13H,4,7,10H2,1H3
InChIKeyOKCBLPKXWLGJSY-UHFFFAOYSA-N
XLogP1.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.58
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'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 101163000
4-[(pent-3-ynylamino)methyl]benzamide
CID 116642949
2-[4-[(pent-3-ynylamino)methyl]phenoxy]acetonitrile
CID 116643067
N-[(1S)-1-pyridin-4-ylethyl]pent-3-yn-1-amine
CID 104807399
2-[4-[(pent-3-ynylamino)methyl]phenyl]propanoic acid
CID 103266589
N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 54943545
ethane;3-methyl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 156850242
molecular hydrogen;N-(pyridin-4-ylmethyl)ethanamine
CID 145190725
N'-(pyridin-4-ylmethyl)hexane-1,6-diamine
CID 83959522
2-tert-butylsulfanyl-N-(pyridin-4-ylmethyl)ethanamine
CID 115614501
1-methyl-3-[2-(pyridin-4-ylmethylamino)ethyl]thiourea
CID 21441086
1-pyridin-4-ylhept-5-yn-2-amine
CID 104805272

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)pent-3-yn-1-amine?
The IUPAC name of N-(pyridin-4-ylmethyl)pent-3-yn-1-amine (CID 104806169) is N-(pyridin-4-ylmethyl)pent-3-yn-1-amine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)pent-3-yn-1-amine?
The canonical SMILES for N-(pyridin-4-ylmethyl)pent-3-yn-1-amine is CC#CCCNCc1ccncc1.
What is the InChIKey of N-(pyridin-4-ylmethyl)pent-3-yn-1-amine?
The InChIKey is OKCBLPKXWLGJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-3-4-7-13-10-11-5-8-12-9-6-11/h5-6,8-9,13H,4,7,10H2,1H3.
What are the key properties of N-(pyridin-4-ylmethyl)pent-3-yn-1-amine?
N-(pyridin-4-ylmethyl)pent-3-yn-1-amine has a molecular weight of 174.25 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)pent-3-yn-1-amine is sourced from PubChem (CID 104806169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).