N-(1-pyridin-4-ylethyl)hex-1-yn-3-amine

C13H18N2 — CID 103520520

IUPACN-(1-pyridin-4-ylethyl)hex-1-yn-3-amine
SMILESC#CC(CCC)NC(C)c1ccncc1
InChIInChI=1S/C13H18N2/c1-4-6-13(5-2)15-11(3)12-7-9-14-10-8-12/h2,7-11,13,15H,4,6H2,1,3H3
InChIKeyBBKBRFXXJPAACO-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.53
Rot. Bonds5

About N-(1-pyridin-4-ylethyl)hex-1-yn-3-amine

N-(1-pyridin-4-ylethyl)hex-1-yn-3-amine (PubChem CID 103520520) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-(1-pyridin-4-ylethyl)hex-1-yn-3-amine.

Molecular Properties

Compound NameN-(1-pyridin-4-ylethyl)hex-1-yn-3-amine
PubChem CID103520520
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-(1-pyridin-4-ylethyl)hex-1-yn-3-amine
SMILESC#CC(CCC)NC(C)c1ccncc1
InChIInChI=1S/C13H18N2/c1-4-6-13(5-2)15-11(3)12-7-9-14-10-8-12/h2,7-11,13,15H,4,6H2,1,3H3
InChIKeyBBKBRFXXJPAACO-UHFFFAOYSA-N
XLogP2.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]hex-1-yn-3-amine
CID 103520522
N-[1-(4-chlorophenyl)ethyl]hex-1-yn-3-amine
CID 103520524
N-[1-(4-tert-butylphenyl)ethyl]hex-1-yn-3-amine
CID 106226028
4-[1-(hex-1-yn-3-ylamino)ethyl]-N,N-dimethylaniline
CID 114160896
N-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine
CID 28644656
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]butan-1-amine
CID 81406430
N-[(1S)-1-pyridin-4-ylethyl]hexan-2-amine
CID 81406053
N-[1-(1-phenylpyrazol-4-yl)ethyl]hex-1-yn-3-amine
CID 106227178
N-[1-(3-methoxyphenyl)ethyl]hex-1-yn-3-amine
CID 106226889
2-(1-pyridin-4-ylethylamino)pentanoic acid
CID 65055511
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]hex-1-yn-3-amine
CID 106225860
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]hex-1-yn-3-amine
CID 106226821

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-4-ylethyl)hex-1-yn-3-amine?
The IUPAC name of N-(1-pyridin-4-ylethyl)hex-1-yn-3-amine (CID 103520520) is N-(1-pyridin-4-ylethyl)hex-1-yn-3-amine.
What is the SMILES notation for N-(1-pyridin-4-ylethyl)hex-1-yn-3-amine?
The canonical SMILES for N-(1-pyridin-4-ylethyl)hex-1-yn-3-amine is C#CC(CCC)NC(C)c1ccncc1.
What is the InChIKey of N-(1-pyridin-4-ylethyl)hex-1-yn-3-amine?
The InChIKey is BBKBRFXXJPAACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-6-13(5-2)15-11(3)12-7-9-14-10-8-12/h2,7-11,13,15H,4,6H2,1,3H3.
What are the key properties of N-(1-pyridin-4-ylethyl)hex-1-yn-3-amine?
N-(1-pyridin-4-ylethyl)hex-1-yn-3-amine has a molecular weight of 202.30 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-4-ylethyl)hex-1-yn-3-amine is sourced from PubChem (CID 103520520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).