3-methyl-2-N-pyridin-4-ylbutane-1,2-diamine

C10H17N3 — CID 65192390

IUPAC3-methyl-2-N-pyridin-4-ylbutane-1,2-diamine
SMILESCC(C)C(CN)Nc1ccncc1
InChIInChI=1S/C10H17N3/c1-8(2)10(7-11)13-9-3-5-12-6-4-9/h3-6,8,10H,7,11H2,1-2H3,(H,12,13)
InChIKeyGPXXNVYBELGKKX-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.48
Rot. Bonds4

About 3-methyl-2-N-pyridin-4-ylbutane-1,2-diamine

3-methyl-2-N-pyridin-4-ylbutane-1,2-diamine (PubChem CID 65192390) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-methyl-2-N-pyridin-4-ylbutane-1,2-diamine.

Molecular Properties

Compound Name3-methyl-2-N-pyridin-4-ylbutane-1,2-diamine
PubChem CID65192390
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3-methyl-2-N-pyridin-4-ylbutane-1,2-diamine
SMILESCC(C)C(CN)Nc1ccncc1
InChIInChI=1S/C10H17N3/c1-8(2)10(7-11)13-9-3-5-12-6-4-9/h3-6,8,10H,7,11H2,1-2H3,(H,12,13)
InChIKeyGPXXNVYBELGKKX-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-N-pyridin-4-ylbutane-1,2-diamine?
The IUPAC name of 3-methyl-2-N-pyridin-4-ylbutane-1,2-diamine (CID 65192390) is 3-methyl-2-N-pyridin-4-ylbutane-1,2-diamine.
What is the SMILES notation for 3-methyl-2-N-pyridin-4-ylbutane-1,2-diamine?
The canonical SMILES for 3-methyl-2-N-pyridin-4-ylbutane-1,2-diamine is CC(C)C(CN)Nc1ccncc1.
What is the InChIKey of 3-methyl-2-N-pyridin-4-ylbutane-1,2-diamine?
The InChIKey is GPXXNVYBELGKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8(2)10(7-11)13-9-3-5-12-6-4-9/h3-6,8,10H,7,11H2,1-2H3,(H,12,13).
What are the key properties of 3-methyl-2-N-pyridin-4-ylbutane-1,2-diamine?
3-methyl-2-N-pyridin-4-ylbutane-1,2-diamine has a molecular weight of 179.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-N-pyridin-4-ylbutane-1,2-diamine is sourced from PubChem (CID 65192390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).