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

C12H21N3 — CID 90694165

IUPAC5-methyl-5-pyridin-2-ylhexane-1,4-diamine
SMILESCC(C)(c1ccccn1)C(N)CCCN
InChIInChI=1S/C12H21N3/c1-12(2,10(14)6-5-8-13)11-7-3-4-9-15-11/h3-4,7,9-10H,5-6,8,13-14H2,1-2H3
InChIKeyNRKPAJVRHVXNNZ-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.43
Rot. Bonds5

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

5-methyl-5-pyridin-2-ylhexane-1,4-diamine (PubChem CID 90694165) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 5-methyl-5-pyridin-2-ylhexane-1,4-diamine.

Molecular Properties

Compound Name5-methyl-5-pyridin-2-ylhexane-1,4-diamine
PubChem CID90694165
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name5-methyl-5-pyridin-2-ylhexane-1,4-diamine
SMILESCC(C)(c1ccccn1)C(N)CCCN
InChIInChI=1S/C12H21N3/c1-12(2,10(14)6-5-8-13)11-7-3-4-9-15-11/h3-4,7,9-10H,5-6,8,13-14H2,1-2H3
InChIKeyNRKPAJVRHVXNNZ-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-2-amino-2-pyridin-2-ylpropanoyl] (2R)-2,5-diaminopentanoate
CID 91238428
2-pyridin-2-ylbutane-2,3-diamine
CID 87362021
3-methyl-3-N-(2-methyl-2-pyridin-2-ylpropyl)butane-1,3-diamine
CID 115135085
3-ethyl-3-pyridin-2-ylpentan-1-amine
CID 83818225
2-methyl-1-phenyl-2-pyridin-2-ylpropan-1-ol
CID 11790943
1-(3-fluorophenyl)-2-methyl-2-pyridin-2-ylpropan-1-amine
CID 46236227
4-methyl-5-pyridin-2-ylhexane-1,4-diamine
CID 91000571
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
2-tert-butylpyridine;ethane;methane
CID 143332153
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
(3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol
CID 135132625
2-methyl-N'-(2-methyl-2-pyridin-2-ylpropyl)butane-1,4-diamine
CID 115203531

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-pyridin-2-ylhexane-1,4-diamine?
The IUPAC name of 5-methyl-5-pyridin-2-ylhexane-1,4-diamine (CID 90694165) is 5-methyl-5-pyridin-2-ylhexane-1,4-diamine.
What is the SMILES notation for 5-methyl-5-pyridin-2-ylhexane-1,4-diamine?
The canonical SMILES for 5-methyl-5-pyridin-2-ylhexane-1,4-diamine is CC(C)(c1ccccn1)C(N)CCCN.
What is the InChIKey of 5-methyl-5-pyridin-2-ylhexane-1,4-diamine?
The InChIKey is NRKPAJVRHVXNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(2,10(14)6-5-8-13)11-7-3-4-9-15-11/h3-4,7,9-10H,5-6,8,13-14H2,1-2H3.
What are the key properties of 5-methyl-5-pyridin-2-ylhexane-1,4-diamine?
5-methyl-5-pyridin-2-ylhexane-1,4-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-pyridin-2-ylhexane-1,4-diamine is sourced from PubChem (CID 90694165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).