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

Nicotine
CID 89594
Ethionamide
CID 2761171
Anabasine
CID 205586
Nornicotine
CID 91462
3-(1-Methylpyrrolidin-2-yl)pyridine
CID 942
Pheniramine
CID 4761
Prothionamide
CID 666418
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Myosmine
CID 442649
Betahistine
CID 2366
2-Pyridineethanamine
CID 75919

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).