1-N,1-N-dimethyl-2-N-[(6-methyl-2-pyridinyl)methyl]propane-1,2-diamine

C12H21N3 — CID 82939144

IUPAC1-N,1-N-dimethyl-2-N-[(6-methyl-2-pyridinyl)methyl]propane-1,2-diamine
SMILESCc1cccc(CNC(C)CN(C)C)n1
InChIInChI=1S/C12H21N3/c1-10-6-5-7-12(14-10)8-13-11(2)9-15(3)4/h5-7,11,13H,8-9H2,1-4H3
InChIKeyKXUPAPJCLXXCLE-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.43
Rot. Bonds5

About 1-N,1-N-dimethyl-2-N-[(6-methyl-2-pyridinyl)methyl]propane-1,2-diamine

1-N,1-N-dimethyl-2-N-[(6-methyl-2-pyridinyl)methyl]propane-1,2-diamine (PubChem CID 82939144) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-2-N-[(6-methyl-2-pyridinyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2-N-[(6-methyl-2-pyridinyl)methyl]propane-1,2-diamine
PubChem CID82939144
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-N,1-N-dimethyl-2-N-[(6-methyl-2-pyridinyl)methyl]propane-1,2-diamine
SMILESCc1cccc(CNC(C)CN(C)C)n1
InChIInChI=1S/C12H21N3/c1-10-6-5-7-12(14-10)8-13-11(2)9-15(3)4/h5-7,11,13H,8-9H2,1-4H3
InChIKeyKXUPAPJCLXXCLE-UHFFFAOYSA-N
XLogP1.43
TPSA28.16 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine
CID 115710700
1-(2-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-2-amine
CID 114829687
4-methyl-N-[(6-methyl-2-pyridinyl)methyl]-4-phenylpentan-2-amine
CID 62323185
N-[(6-methyl-2-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 62321412
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylethanamine
CID 62321588
4-[3-[(6-methyl-2-pyridinyl)methylamino]butyl]phenol
CID 62322123
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
N-(2-methylpropoxy)-1-(6-methyl-2-pyridinyl)methanamine
CID 82714626
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-4-ylethanamine
CID 62321260
4-(furan-2-yl)-N-[(6-methyl-2-pyridinyl)methyl]butan-2-amine
CID 62322509
1-N,1-N-dimethyl-2-N-[(2-methylquinolin-6-yl)methyl]propane-1,2-diamine
CID 105378632
2-N-[(6-bromo-2-pyridinyl)methyl]-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 112582243

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2-N-[(6-methyl-2-pyridinyl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2-N-[(6-methyl-2-pyridinyl)methyl]propane-1,2-diamine (CID 82939144) is 1-N,1-N-dimethyl-2-N-[(6-methyl-2-pyridinyl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2-N-[(6-methyl-2-pyridinyl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2-N-[(6-methyl-2-pyridinyl)methyl]propane-1,2-diamine is Cc1cccc(CNC(C)CN(C)C)n1.
What is the InChIKey of 1-N,1-N-dimethyl-2-N-[(6-methyl-2-pyridinyl)methyl]propane-1,2-diamine?
The InChIKey is KXUPAPJCLXXCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10-6-5-7-12(14-10)8-13-11(2)9-15(3)4/h5-7,11,13H,8-9H2,1-4H3.
What are the key properties of 1-N,1-N-dimethyl-2-N-[(6-methyl-2-pyridinyl)methyl]propane-1,2-diamine?
1-N,1-N-dimethyl-2-N-[(6-methyl-2-pyridinyl)methyl]propane-1,2-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-2-N-[(6-methyl-2-pyridinyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 82939144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).