2-N,2-dimethyl-2-N-[(5-methyl-3-pyridinyl)methyl]propane-1,2-diamine

C12H21N3 — CID 102879133

IUPAC2-N,2-dimethyl-2-N-[(5-methyl-3-pyridinyl)methyl]propane-1,2-diamine
SMILESCc1cncc(CN(C)C(C)(C)CN)c1
InChIInChI=1S/C12H21N3/c1-10-5-11(7-14-6-10)8-15(4)12(2,3)9-13/h5-7H,8-9,13H2,1-4H3
InChIKeyGMSPFFDYYHJBNI-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.56
Rot. Bonds4

About 2-N,2-dimethyl-2-N-[(5-methyl-3-pyridinyl)methyl]propane-1,2-diamine

2-N,2-dimethyl-2-N-[(5-methyl-3-pyridinyl)methyl]propane-1,2-diamine (PubChem CID 102879133) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-[(5-methyl-3-pyridinyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-[(5-methyl-3-pyridinyl)methyl]propane-1,2-diamine
PubChem CID102879133
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-N,2-dimethyl-2-N-[(5-methyl-3-pyridinyl)methyl]propane-1,2-diamine
SMILESCc1cncc(CN(C)C(C)(C)CN)c1
InChIInChI=1S/C12H21N3/c1-10-5-11(7-14-6-10)8-15(4)12(2,3)9-13/h5-7H,8-9,13H2,1-4H3
InChIKeyGMSPFFDYYHJBNI-UHFFFAOYSA-N
XLogP1.56
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[(5-methyl-3-pyridinyl)methyl]-N-propan-2-ylaniline
CID 102880574
2-N-[(2,4-dimethylphenyl)methyl]-2-N,2-dimethylpropane-1,2-diamine
CID 115132012
N'-hydroxy-2-[methyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanimidamide
CID 102881366
2-N,2-dimethyl-2-N-(naphthalen-2-ylmethyl)propane-1,2-diamine
CID 115132094
2-[2-hydroxyethyl-[(5-methyl-3-pyridinyl)methyl]amino]ethanol
CID 102794628
4-[[methyl-[(5-methyl-3-pyridinyl)methyl]amino]methyl]benzoic acid
CID 102877423
N,N'-dimethyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine
CID 102877835
1,1-dimethyl-2-[(5-methyl-3-pyridinyl)methyl]hydrazine
CID 102881007
2-N,2-dimethyl-2-N-[(4-phenylphenyl)methyl]propane-1,2-diamine
CID 115132029
2-N,2-dimethyl-2-N-[[4-(2-methylpropyl)phenyl]methyl]propane-1,2-diamine
CID 115132013
N'-cyclopropyl-N'-[(5-methyl-3-pyridinyl)methyl]propane-1,3-diamine
CID 102880556
N'-cyclohexyl-N'-[(5-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 102879102

Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-[(5-methyl-3-pyridinyl)methyl]propane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-[(5-methyl-3-pyridinyl)methyl]propane-1,2-diamine (CID 102879133) is 2-N,2-dimethyl-2-N-[(5-methyl-3-pyridinyl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-[(5-methyl-3-pyridinyl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-[(5-methyl-3-pyridinyl)methyl]propane-1,2-diamine is Cc1cncc(CN(C)C(C)(C)CN)c1.
What is the InChIKey of 2-N,2-dimethyl-2-N-[(5-methyl-3-pyridinyl)methyl]propane-1,2-diamine?
The InChIKey is GMSPFFDYYHJBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10-5-11(7-14-6-10)8-15(4)12(2,3)9-13/h5-7H,8-9,13H2,1-4H3.
What are the key properties of 2-N,2-dimethyl-2-N-[(5-methyl-3-pyridinyl)methyl]propane-1,2-diamine?
2-N,2-dimethyl-2-N-[(5-methyl-3-pyridinyl)methyl]propane-1,2-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-2-N-[(5-methyl-3-pyridinyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 102879133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).