4-methyl-5-pyridin-2-ylhexane-1,4-diamine

C12H21N3 — CID 91000571

IUPAC4-methyl-5-pyridin-2-ylhexane-1,4-diamine
SMILESCC(c1ccccn1)C(C)(N)CCCN
InChIInChI=1S/C12H21N3/c1-10(11-6-3-4-9-15-11)12(2,14)7-5-8-13/h3-4,6,9-10H,5,7-8,13-14H2,1-2H3
InChIKeyUVJHKPTXLPLJFA-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.64
Rot. Bonds5

About 4-methyl-5-pyridin-2-ylhexane-1,4-diamine

4-methyl-5-pyridin-2-ylhexane-1,4-diamine (PubChem CID 91000571) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-methyl-5-pyridin-2-ylhexane-1,4-diamine.

Molecular Properties

Compound Name4-methyl-5-pyridin-2-ylhexane-1,4-diamine
PubChem CID91000571
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-methyl-5-pyridin-2-ylhexane-1,4-diamine
SMILESCC(c1ccccn1)C(C)(N)CCCN
InChIInChI=1S/C12H21N3/c1-10(11-6-3-4-9-15-11)12(2,14)7-5-8-13/h3-4,6,9-10H,5,7-8,13-14H2,1-2H3
InChIKeyUVJHKPTXLPLJFA-UHFFFAOYSA-N
XLogP1.64
TPSA64.93 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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-bis(1-pyridin-2-ylethyl)butane-1,4-diamine
CID 58997062
2-(3,3,4,4-tetramethylpentan-2-yl)pyridine
CID 146411228
3-(1-pyridin-2-ylethylsulfanyl)propan-1-amine
CID 71320210
2-pyridin-2-ylpropan-1-amine
CID 21481533
(2R)-3-methyl-2-pyridin-2-ylbutan-1-amine
CID 96736561
3-amino-3-methyl-1-pyridin-2-ylbutan-1-ol
CID 82408899
3,3,5,5,6-pentamethyl-2-pyridin-2-ylheptan-1-amine
CID 71203351
3-pyridin-2-ylbutane-1,2-diamine
CID 67591241
(1S)-3,3-dimethyl-1-pyridin-2-ylbutan-1-amine
CID 99737676
5,5-dimethyl-2-pyridin-2-ylhexan-3-amine
CID 66448754
2,2,4,4,5-pentamethyl-1-pyridin-2-ylhexan-1-amine
CID 71203343
3,3-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]butan-1-amine
CID 81399957

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-pyridin-2-ylhexane-1,4-diamine?
The IUPAC name of 4-methyl-5-pyridin-2-ylhexane-1,4-diamine (CID 91000571) is 4-methyl-5-pyridin-2-ylhexane-1,4-diamine.
What is the SMILES notation for 4-methyl-5-pyridin-2-ylhexane-1,4-diamine?
The canonical SMILES for 4-methyl-5-pyridin-2-ylhexane-1,4-diamine is CC(c1ccccn1)C(C)(N)CCCN.
What is the InChIKey of 4-methyl-5-pyridin-2-ylhexane-1,4-diamine?
The InChIKey is UVJHKPTXLPLJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(11-6-3-4-9-15-11)12(2,14)7-5-8-13/h3-4,6,9-10H,5,7-8,13-14H2,1-2H3.
What are the key properties of 4-methyl-5-pyridin-2-ylhexane-1,4-diamine?
4-methyl-5-pyridin-2-ylhexane-1,4-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-pyridin-2-ylhexane-1,4-diamine is sourced from PubChem (CID 91000571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).