4-N-(5-methylhexan-2-yl)pyridine-3,4-diamine

C12H21N3 — CID 63926910

IUPAC4-N-(5-methylhexan-2-yl)pyridine-3,4-diamine
SMILESCC(C)CCC(C)Nc1ccncc1N
InChIInChI=1S/C12H21N3/c1-9(2)4-5-10(3)15-12-6-7-14-8-11(12)13/h6-10H,4-5,13H2,1-3H3,(H,14,15)
InChIKeyIZZZNLSHMIJKCJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.90
Rot. Bonds5

About 4-N-(5-methylhexan-2-yl)pyridine-3,4-diamine

4-N-(5-methylhexan-2-yl)pyridine-3,4-diamine (PubChem CID 63926910) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-N-(5-methylhexan-2-yl)pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-(5-methylhexan-2-yl)pyridine-3,4-diamine
PubChem CID63926910
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-N-(5-methylhexan-2-yl)pyridine-3,4-diamine
SMILESCC(C)CCC(C)Nc1ccncc1N
InChIInChI=1S/C12H21N3/c1-9(2)4-5-10(3)15-12-6-7-14-8-11(12)13/h6-10H,4-5,13H2,1-3H3,(H,14,15)
InChIKeyIZZZNLSHMIJKCJ-UHFFFAOYSA-N
XLogP2.90
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(1-methylsulfonylpropan-2-yl)pyridine-3,4-diamine
CID 64630420
4-N-(4-phenylmethoxybutan-2-yl)pyridine-3,4-diamine
CID 166432739
3-(5-methylhexan-2-ylamino)pyridine-4-carbonitrile
CID 114287606
4-N-[1-(furan-2-yl)propan-2-yl]pyridine-3,4-diamine
CID 61469609
4-N-(3,3-dimethylbutan-2-yl)pyridine-3,4-diamine
CID 104827419
N-(5-methylhexan-2-yl)pyridin-3-amine
CID 43190619
4-[(3-amino-4-pyridinyl)amino]butan-2-ol
CID 64928058
4-N-(4-methylpent-1-yn-3-yl)pyridine-3,4-diamine
CID 130481643
4-N-[1-(4-fluorophenyl)ethyl]pyridine-3,4-diamine
CID 54965311
4-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyridine-3,4-diamine
CID 93103324
6-N-(5-methylhexan-2-yl)quinoline-5,6-diamine
CID 63928132
4-N-[1-(2-fluorophenyl)ethyl]pyridine-3,4-diamine
CID 54964707

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methylhexan-2-yl)pyridine-3,4-diamine?
The IUPAC name of 4-N-(5-methylhexan-2-yl)pyridine-3,4-diamine (CID 63926910) is 4-N-(5-methylhexan-2-yl)pyridine-3,4-diamine.
What is the SMILES notation for 4-N-(5-methylhexan-2-yl)pyridine-3,4-diamine?
The canonical SMILES for 4-N-(5-methylhexan-2-yl)pyridine-3,4-diamine is CC(C)CCC(C)Nc1ccncc1N.
What is the InChIKey of 4-N-(5-methylhexan-2-yl)pyridine-3,4-diamine?
The InChIKey is IZZZNLSHMIJKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)4-5-10(3)15-12-6-7-14-8-11(12)13/h6-10H,4-5,13H2,1-3H3,(H,14,15).
What are the key properties of 4-N-(5-methylhexan-2-yl)pyridine-3,4-diamine?
4-N-(5-methylhexan-2-yl)pyridine-3,4-diamine has a molecular weight of 207.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-methylhexan-2-yl)pyridine-3,4-diamine is sourced from PubChem (CID 63926910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).