N'-pentan-3-yl-N'-pyridin-4-ylethane-1,2-diamine

C12H21N3 — CID 63760008

IUPACN'-pentan-3-yl-N'-pyridin-4-ylethane-1,2-diamine
SMILESCCC(CC)N(CCN)c1ccncc1
InChIInChI=1S/C12H21N3/c1-3-11(4-2)15(10-7-13)12-5-8-14-9-6-12/h5-6,8-9,11H,3-4,7,10,13H2,1-2H3
InChIKeyAHLBTUMUABLBMQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.04
Rot. Bonds6

About N'-pentan-3-yl-N'-pyridin-4-ylethane-1,2-diamine

N'-pentan-3-yl-N'-pyridin-4-ylethane-1,2-diamine (PubChem CID 63760008) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N'-pentan-3-yl-N'-pyridin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-pentan-3-yl-N'-pyridin-4-ylethane-1,2-diamine
PubChem CID63760008
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN'-pentan-3-yl-N'-pyridin-4-ylethane-1,2-diamine
SMILESCCC(CC)N(CCN)c1ccncc1
InChIInChI=1S/C12H21N3/c1-3-11(4-2)15(10-7-13)12-5-8-14-9-6-12/h5-6,8-9,11H,3-4,7,10,13H2,1-2H3
InChIKeyAHLBTUMUABLBMQ-UHFFFAOYSA-N
XLogP2.04
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-pentan-3-yl-N'-pyrimidin-4-ylethane-1,2-diamine
CID 63759066
4-[2-aminoethyl(pentan-3-yl)amino]-N-methylpyridine-2-carboxamide
CID 63761416
N'-(5-methylpyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine
CID 63759067
N'-(1,2,4-benzotriazin-3-yl)-N'-pentan-3-ylethane-1,2-diamine
CID 103205202
1-[2-aminoethyl(pentan-3-yl)amino]isoquinolin-7-ol
CID 106543352
N'-(4,6-dimethoxypyrimidin-2-yl)-N'-pentan-3-ylethane-1,2-diamine
CID 115355774
2-N-propan-2-yl-2-N-pyridin-4-ylpropane-1,2-diamine
CID 83830535
3-[methyl(pyridin-4-yl)amino]butanethioamide
CID 63223974
N'-methyl-N'-pyridin-4-ylmethanediamine
CID 115225635
N'-cyclopropyl-N'-pyridin-4-ylethane-1,2-diamine
CID 63759399
1-[methyl(pyridin-4-yl)amino]propan-1-ol
CID 70056713
2-[4-[(1R)-1-aminoethyl]-N-pentan-3-ylanilino]ethanol
CID 55188530

Frequently Asked Questions

What is the IUPAC name of N'-pentan-3-yl-N'-pyridin-4-ylethane-1,2-diamine?
The IUPAC name of N'-pentan-3-yl-N'-pyridin-4-ylethane-1,2-diamine (CID 63760008) is N'-pentan-3-yl-N'-pyridin-4-ylethane-1,2-diamine.
What is the SMILES notation for N'-pentan-3-yl-N'-pyridin-4-ylethane-1,2-diamine?
The canonical SMILES for N'-pentan-3-yl-N'-pyridin-4-ylethane-1,2-diamine is CCC(CC)N(CCN)c1ccncc1.
What is the InChIKey of N'-pentan-3-yl-N'-pyridin-4-ylethane-1,2-diamine?
The InChIKey is AHLBTUMUABLBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-11(4-2)15(10-7-13)12-5-8-14-9-6-12/h5-6,8-9,11H,3-4,7,10,13H2,1-2H3.
What are the key properties of N'-pentan-3-yl-N'-pyridin-4-ylethane-1,2-diamine?
N'-pentan-3-yl-N'-pyridin-4-ylethane-1,2-diamine has a molecular weight of 207.32 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pentan-3-yl-N'-pyridin-4-ylethane-1,2-diamine is sourced from PubChem (CID 63760008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).