3-methyl-1-pyridin-3-ylbutane-1,4-diamine

C10H17N3 — CID 116934246

IUPAC3-methyl-1-pyridin-3-ylbutane-1,4-diamine
SMILESCC(CN)CC(N)c1cccnc1
InChIInChI=1S/C10H17N3/c1-8(6-11)5-10(12)9-3-2-4-13-7-9/h2-4,7-8,10H,5-6,11-12H2,1H3
InChIKeyYDXCJUNHOMQJRH-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.07
Rot. Bonds4

About 3-methyl-1-pyridin-3-ylbutane-1,4-diamine

3-methyl-1-pyridin-3-ylbutane-1,4-diamine (PubChem CID 116934246) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-methyl-1-pyridin-3-ylbutane-1,4-diamine.

Molecular Properties

Compound Name3-methyl-1-pyridin-3-ylbutane-1,4-diamine
PubChem CID116934246
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3-methyl-1-pyridin-3-ylbutane-1,4-diamine
SMILESCC(CN)CC(N)c1cccnc1
InChIInChI=1S/C10H17N3/c1-8(6-11)5-10(12)9-3-2-4-13-7-9/h2-4,7-8,10H,5-6,11-12H2,1H3
InChIKeyYDXCJUNHOMQJRH-UHFFFAOYSA-N
XLogP1.07
TPSA64.93 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 ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-3-ylpropane-1,3-diamine
CID 116932848
2-methyl-1-pyridin-3-ylpropane-1,3-diamine
CID 116933165
2-amino-2-pyridin-3-ylethanol
CID 2734590
(1R)-3-fluoro-1-pyridin-3-ylpropan-1-amine;hydrochloride
CID 171201508
(1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine
CID 103689442
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
4-amino-3-methyl-N-[(1R)-1-pyridin-3-ylethyl]butanamide
CID 81404984
2-(3-pyridin-3-ylbutan-2-yl)propane-1,3-diamine
CID 83929792
4-methoxy-1-pyridin-3-ylpentan-1-amine
CID 105098535
(1S)-1-pyridin-3-ylpentane-1,5-diamine;hydrochloride
CID 171221036
(1S)-1-pyridin-3-ylhexan-1-amine
CID 94506966
(4S)-4-amino-4-pyridin-3-ylbutan-2-one
CID 59038480

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-pyridin-3-ylbutane-1,4-diamine?
The IUPAC name of 3-methyl-1-pyridin-3-ylbutane-1,4-diamine (CID 116934246) is 3-methyl-1-pyridin-3-ylbutane-1,4-diamine.
What is the SMILES notation for 3-methyl-1-pyridin-3-ylbutane-1,4-diamine?
The canonical SMILES for 3-methyl-1-pyridin-3-ylbutane-1,4-diamine is CC(CN)CC(N)c1cccnc1.
What is the InChIKey of 3-methyl-1-pyridin-3-ylbutane-1,4-diamine?
The InChIKey is YDXCJUNHOMQJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8(6-11)5-10(12)9-3-2-4-13-7-9/h2-4,7-8,10H,5-6,11-12H2,1H3.
What are the key properties of 3-methyl-1-pyridin-3-ylbutane-1,4-diamine?
3-methyl-1-pyridin-3-ylbutane-1,4-diamine has a molecular weight of 179.27 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-pyridin-3-ylbutane-1,4-diamine is sourced from PubChem (CID 116934246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).