2-N-(3-amino-2-methylpropyl)pyridine-2,5-diamine

C9H16N4 — CID 117044524

IUPAC2-N-(3-amino-2-methylpropyl)pyridine-2,5-diamine
SMILESCC(CN)CNc1ccc(N)cn1
InChIInChI=1S/C9H16N4/c1-7(4-10)5-12-9-3-2-8(11)6-13-9/h2-3,6-7H,4-5,10-11H2,1H3,(H,12,13)
InChIKeyZFNPHSVHWLSXKW-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.67
Rot. Bonds4

About 2-N-(3-amino-2-methylpropyl)pyridine-2,5-diamine

2-N-(3-amino-2-methylpropyl)pyridine-2,5-diamine (PubChem CID 117044524) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-N-(3-amino-2-methylpropyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(3-amino-2-methylpropyl)pyridine-2,5-diamine
PubChem CID117044524
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name2-N-(3-amino-2-methylpropyl)pyridine-2,5-diamine
SMILESCC(CN)CNc1ccc(N)cn1
InChIInChI=1S/C9H16N4/c1-7(4-10)5-12-9-3-2-8(11)6-13-9/h2-3,6-7H,4-5,10-11H2,1H3,(H,12,13)
InChIKeyZFNPHSVHWLSXKW-UHFFFAOYSA-N
XLogP0.67
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,3-dimethylbutyl)pyridine-2,5-diamine
CID 64570407
2-N-ethylpyridine-2,5-diamine;hydrochloride
CID 134080457
4-[(5-amino-2-pyridinyl)amino]butan-2-ol
CID 64928844
2-N-propan-2-ylpyridine-2,5-diamine
CID 16775330
N-(5-tert-butyl-2-pyridinyl)-2-methylbutane-1,4-diamine
CID 107875694
5-[(5-amino-2-pyridinyl)amino]pentan-2-ol
CID 106119738
5-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 62693752
2-N-(4-propan-2-yloxybutyl)pyridine-2,5-diamine
CID 106006897
2-methyl-N'-[6-(4-methylphenyl)pyridazin-3-yl]propane-1,3-diamine
CID 116970792
2-N-pentan-3-ylpyridine-2,5-diamine
CID 16775519
5-(aminomethyl)-N-(2-methoxypropyl)pyridin-2-amine
CID 102694575
N-(2-methylbutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 62693316

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-amino-2-methylpropyl)pyridine-2,5-diamine?
The IUPAC name of 2-N-(3-amino-2-methylpropyl)pyridine-2,5-diamine (CID 117044524) is 2-N-(3-amino-2-methylpropyl)pyridine-2,5-diamine.
What is the SMILES notation for 2-N-(3-amino-2-methylpropyl)pyridine-2,5-diamine?
The canonical SMILES for 2-N-(3-amino-2-methylpropyl)pyridine-2,5-diamine is CC(CN)CNc1ccc(N)cn1.
What is the InChIKey of 2-N-(3-amino-2-methylpropyl)pyridine-2,5-diamine?
The InChIKey is ZFNPHSVHWLSXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-7(4-10)5-12-9-3-2-8(11)6-13-9/h2-3,6-7H,4-5,10-11H2,1H3,(H,12,13).
What are the key properties of 2-N-(3-amino-2-methylpropyl)pyridine-2,5-diamine?
2-N-(3-amino-2-methylpropyl)pyridine-2,5-diamine has a molecular weight of 180.25 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-amino-2-methylpropyl)pyridine-2,5-diamine is sourced from PubChem (CID 117044524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).