3-methyl-3-N-(2-methyl-2-pyridin-2-ylpropyl)butane-1,3-diamine

C14H25N3 — CID 115135085

IUPAC3-methyl-3-N-(2-methyl-2-pyridin-2-ylpropyl)butane-1,3-diamine
SMILESCC(C)(CCN)NCC(C)(C)c1ccccn1
InChIInChI=1S/C14H25N3/c1-13(2,12-7-5-6-10-16-12)11-17-14(3,4)8-9-15/h5-7,10,17H,8-9,11,15H2,1-4H3
InChIKeyWEFYTHSVQMPOAY-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.08
Rot. Bonds6

About 3-methyl-3-N-(2-methyl-2-pyridin-2-ylpropyl)butane-1,3-diamine

3-methyl-3-N-(2-methyl-2-pyridin-2-ylpropyl)butane-1,3-diamine (PubChem CID 115135085) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 3-methyl-3-N-(2-methyl-2-pyridin-2-ylpropyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-methyl-3-N-(2-methyl-2-pyridin-2-ylpropyl)butane-1,3-diamine
PubChem CID115135085
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name3-methyl-3-N-(2-methyl-2-pyridin-2-ylpropyl)butane-1,3-diamine
SMILESCC(C)(CCN)NCC(C)(C)c1ccccn1
InChIInChI=1S/C14H25N3/c1-13(2,12-7-5-6-10-16-12)11-17-14(3,4)8-9-15/h5-7,10,17H,8-9,11,15H2,1-4H3
InChIKeyWEFYTHSVQMPOAY-UHFFFAOYSA-N
XLogP2.08
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethionamide
CID 2761171
Anabasine
CID 205586
Nornicotine
CID 91462
Prothionamide
CID 666418
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Betahistine
CID 2366
2-Pyridineethanamine
CID 75919
5-Ethyl-2-methylpyridine
CID 7728
Anabaseine
CID 18985
2,4-Dimethylpyridine
CID 7936
2-Propylpyridine
CID 69320

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-N-(2-methyl-2-pyridin-2-ylpropyl)butane-1,3-diamine?
The IUPAC name of 3-methyl-3-N-(2-methyl-2-pyridin-2-ylpropyl)butane-1,3-diamine (CID 115135085) is 3-methyl-3-N-(2-methyl-2-pyridin-2-ylpropyl)butane-1,3-diamine.
What is the SMILES notation for 3-methyl-3-N-(2-methyl-2-pyridin-2-ylpropyl)butane-1,3-diamine?
The canonical SMILES for 3-methyl-3-N-(2-methyl-2-pyridin-2-ylpropyl)butane-1,3-diamine is CC(C)(CCN)NCC(C)(C)c1ccccn1.
What is the InChIKey of 3-methyl-3-N-(2-methyl-2-pyridin-2-ylpropyl)butane-1,3-diamine?
The InChIKey is WEFYTHSVQMPOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-13(2,12-7-5-6-10-16-12)11-17-14(3,4)8-9-15/h5-7,10,17H,8-9,11,15H2,1-4H3.
What are the key properties of 3-methyl-3-N-(2-methyl-2-pyridin-2-ylpropyl)butane-1,3-diamine?
3-methyl-3-N-(2-methyl-2-pyridin-2-ylpropyl)butane-1,3-diamine has a molecular weight of 235.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-N-(2-methyl-2-pyridin-2-ylpropyl)butane-1,3-diamine is sourced from PubChem (CID 115135085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).