2,3-dimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine;dihydrochloride

C12H23Cl2N3 — CID 119934808

IUPAC2,3-dimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine;dihydrochloride
SMILESCC(C)C(C)(CN)NCc1cccnc1.Cl.Cl
InChIInChI=1S/C12H21N3.2ClH/c1-10(2)12(3,9-13)15-8-11-5-4-6-14-7-11;;/h4-7,10,15H,8-9,13H2,1-3H3;2*1H
InChIKeyWAJWMNNDSKSUQH-UHFFFAOYSA-N
MW280.24 g/mol
LogP2.39
Rot. Bonds5

About 2,3-dimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine;dihydrochloride

2,3-dimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine;dihydrochloride (PubChem CID 119934808) has the molecular formula C12H23Cl2N3 and a molecular weight of 280.24 g/mol. Its IUPAC name is 2,3-dimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound Name2,3-dimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine;dihydrochloride
PubChem CID119934808
Molecular FormulaC12H23Cl2N3
Molecular Weight280.24 g/mol
Exact Mass279.13
IUPAC Name2,3-dimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine;dihydrochloride
SMILESCC(C)C(C)(CN)NCc1cccnc1.Cl.Cl
InChIInChI=1S/C12H21N3.2ClH/c1-10(2)12(3,9-13)15-8-11-5-4-6-14-7-11;;/h4-7,10,15H,8-9,13H2,1-3H3;2*1H
InChIKeyWAJWMNNDSKSUQH-UHFFFAOYSA-N
XLogP2.39
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4,4-trimethyl-N-(pyridin-3-ylmethyl)pentan-2-amine;hydrochloride
CID 6463081
2-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;2-methyl-N-(pyridin-4-ylmethyl)propan-2-amine
CID 159685342
(2R)-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
CID 104868129
N-methyl-1-pyridin-3-ylmethanamine;hydrochloride
CID 17290665
2-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine
CID 115132207
2,3-dimethyl-2-N-[[4-(trifluoromethyl)phenyl]methyl]butane-1,2-diamine
CID 119929132
2-fluoro-3-methyl-2-(pyridin-3-ylmethyl)butan-1-amine
CID 104737459
2,2-dimethyl-N-(pyridin-3-ylmethyl)pentan-3-amine;hydrochloride
CID 115616065
2-methyl-1-pyridin-3-ylpropan-2-amine;dihydrochloride
CID 131637820
N-(1-amino-2,3-dimethylbutan-2-yl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 119608365
2-N-[(2-chlorophenyl)methyl]-2,3-dimethylbutane-1,2-diamine
CID 119929106
1-chloro-2-phenyl-N-(pyridin-3-ylmethyl)propan-2-amine
CID 105059503

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine;dihydrochloride?
The IUPAC name of 2,3-dimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine;dihydrochloride (CID 119934808) is 2,3-dimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine;dihydrochloride.
What is the SMILES notation for 2,3-dimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine;dihydrochloride?
The canonical SMILES for 2,3-dimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine;dihydrochloride is CC(C)C(C)(CN)NCc1cccnc1.Cl.Cl.
What is the InChIKey of 2,3-dimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine;dihydrochloride?
The InChIKey is WAJWMNNDSKSUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3.2ClH/c1-10(2)12(3,9-13)15-8-11-5-4-6-14-7-11;;/h4-7,10,15H,8-9,13H2,1-3H3;2*1H.
What are the key properties of 2,3-dimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine;dihydrochloride?
2,3-dimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine;dihydrochloride has a molecular weight of 280.24 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 119934808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).