1-N-(5-methyl-2-pyridinyl)butane-1,2-diamine

C10H17N3 — CID 63732659

IUPAC1-N-(5-methyl-2-pyridinyl)butane-1,2-diamine
SMILESCCC(N)CNc1ccc(C)cn1
InChIInChI=1S/C10H17N3/c1-3-9(11)7-13-10-5-4-8(2)6-12-10/h4-6,9H,3,7,11H2,1-2H3,(H,12,13)
InChIKeyIBYDAGRQLDQWLS-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.54
Rot. Bonds4

About 1-N-(5-methyl-2-pyridinyl)butane-1,2-diamine

1-N-(5-methyl-2-pyridinyl)butane-1,2-diamine (PubChem CID 63732659) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-N-(5-methyl-2-pyridinyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-methyl-2-pyridinyl)butane-1,2-diamine
PubChem CID63732659
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-N-(5-methyl-2-pyridinyl)butane-1,2-diamine
SMILESCCC(N)CNc1ccc(C)cn1
InChIInChI=1S/C10H17N3/c1-3-9(11)7-13-10-5-4-8(2)6-12-10/h4-6,9H,3,7,11H2,1-2H3,(H,12,13)
InChIKeyIBYDAGRQLDQWLS-UHFFFAOYSA-N
XLogP1.54
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(2-methylbutyl)pyridin-2-amine
CID 62693752
N'-(5-methyl-2-pyridinyl)methanediamine
CID 137383083
1-N-quinoxalin-2-ylbutane-1,2-diamine;dihydrochloride
CID 141390759
N-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 62664659
2-amino-3-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride
CID 119888065
N-[[4-(aminomethyl)phenyl]methyl]-5-methylpyridin-2-amine
CID 54936126
N-[(1-ethylcyclopropyl)methyl]-5-methylpyridin-2-amine
CID 103736819
4-[(5-methyl-2-pyridinyl)amino]butan-2-ol
CID 64911264
2-amino-3-[(5-fluoro-2-pyridinyl)amino]propan-1-ol
CID 131123311
5-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 115899298
N-[(2-ethylphenyl)methyl]-5-methylpyridin-2-amine
CID 64695713
2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide
CID 119888018

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-methyl-2-pyridinyl)butane-1,2-diamine?
The IUPAC name of 1-N-(5-methyl-2-pyridinyl)butane-1,2-diamine (CID 63732659) is 1-N-(5-methyl-2-pyridinyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-(5-methyl-2-pyridinyl)butane-1,2-diamine?
The canonical SMILES for 1-N-(5-methyl-2-pyridinyl)butane-1,2-diamine is CCC(N)CNc1ccc(C)cn1.
What is the InChIKey of 1-N-(5-methyl-2-pyridinyl)butane-1,2-diamine?
The InChIKey is IBYDAGRQLDQWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-9(11)7-13-10-5-4-8(2)6-12-10/h4-6,9H,3,7,11H2,1-2H3,(H,12,13).
What are the key properties of 1-N-(5-methyl-2-pyridinyl)butane-1,2-diamine?
1-N-(5-methyl-2-pyridinyl)butane-1,2-diamine has a molecular weight of 179.27 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-methyl-2-pyridinyl)butane-1,2-diamine is sourced from PubChem (CID 63732659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).