N-hex-1-yn-3-yl-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine

C14H21N3 — CID 114161073

IUPACN-hex-1-yn-3-yl-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine
SMILESC#CC(CCC)NC(CN)c1cnccc1C
InChIInChI=1S/C14H21N3/c1-4-6-12(5-2)17-14(9-15)13-10-16-8-7-11(13)3/h2,7-8,10,12,14,17H,4,6,9,15H2,1,3H3
InChIKeyYFGBWTLCMONGLU-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.78
Rot. Bonds6

About N-hex-1-yn-3-yl-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine

N-hex-1-yn-3-yl-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine (PubChem CID 114161073) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-hex-1-yn-3-yl-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-hex-1-yn-3-yl-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine
PubChem CID114161073
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC NameN-hex-1-yn-3-yl-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine
SMILESC#CC(CCC)NC(CN)c1cnccc1C
InChIInChI=1S/C14H21N3/c1-4-6-12(5-2)17-14(9-15)13-10-16-8-7-11(13)3/h2,7-8,10,12,14,17H,4,6,9,15H2,1,3H3
InChIKeyYFGBWTLCMONGLU-UHFFFAOYSA-N
XLogP1.78
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-fluoro-2-methylphenyl)-N-hex-1-yn-3-ylethane-1,2-diamine
CID 106228115
1-(1,3-dimethylpyrazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine
CID 106228337
1-(2-bromo-5-fluorophenyl)-N-hex-1-yn-3-ylethane-1,2-diamine
CID 114161092
1-(3-ethylimidazol-4-yl)-N-hex-1-yn-3-ylethane-1,2-diamine
CID 106227949
1-(4-bromo-2-fluorophenyl)-N-hex-1-yn-3-ylethane-1,2-diamine
CID 106228390
1-(2,3-dimethoxyphenyl)-N-hex-1-yn-3-ylethane-1,2-diamine
CID 106228264
N-(1-pyridin-4-ylethyl)hex-1-yn-3-amine
CID 103520520
N-hex-1-yn-3-yl-1-[5-(2-methylcyclopropyl)furan-2-yl]ethane-1,2-diamine
CID 106228042
1-(4-methyl-3-pyridinyl)nonylhydrazine
CID 105279792
N-ethyl-1-(4-methyl-3-pyridinyl)pentan-1-amine
CID 79405563
2-N-hex-1-yn-3-ylbutane-1,2-diamine
CID 106228269
N-(2-cyclobutylethyl)-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine
CID 113478720

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yl-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N-hex-1-yn-3-yl-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine (CID 114161073) is N-hex-1-yn-3-yl-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N-hex-1-yn-3-yl-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N-hex-1-yn-3-yl-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine is C#CC(CCC)NC(CN)c1cnccc1C.
What is the InChIKey of N-hex-1-yn-3-yl-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine?
The InChIKey is YFGBWTLCMONGLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-6-12(5-2)17-14(9-15)13-10-16-8-7-11(13)3/h2,7-8,10,12,14,17H,4,6,9,15H2,1,3H3.
What are the key properties of N-hex-1-yn-3-yl-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine?
N-hex-1-yn-3-yl-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine has a molecular weight of 231.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-yl-1-(4-methyl-3-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 114161073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).