1-N,1-N-dimethyl-2-N-[(4-methyl-3-pyridinyl)methyl]propane-1,2-diamine

C12H21N3 — CID 82939347

IUPAC1-N,1-N-dimethyl-2-N-[(4-methyl-3-pyridinyl)methyl]propane-1,2-diamine
SMILESCc1ccncc1CNC(C)CN(C)C
InChIInChI=1S/C12H21N3/c1-10-5-6-13-7-12(10)8-14-11(2)9-15(3)4/h5-7,11,14H,8-9H2,1-4H3
InChIKeyWBSXJBBMCBPYLC-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.43
Rot. Bonds5

About 1-N,1-N-dimethyl-2-N-[(4-methyl-3-pyridinyl)methyl]propane-1,2-diamine

1-N,1-N-dimethyl-2-N-[(4-methyl-3-pyridinyl)methyl]propane-1,2-diamine (PubChem CID 82939347) 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-[(4-methyl-3-pyridinyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2-N-[(4-methyl-3-pyridinyl)methyl]propane-1,2-diamine
PubChem CID82939347
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-N,1-N-dimethyl-2-N-[(4-methyl-3-pyridinyl)methyl]propane-1,2-diamine
SMILESCc1ccncc1CNC(C)CN(C)C
InChIInChI=1S/C12H21N3/c1-10-5-6-13-7-12(10)8-14-11(2)9-15(3)4/h5-7,11,14H,8-9H2,1-4H3
InChIKeyWBSXJBBMCBPYLC-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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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2-N-[(4-methyl-3-pyridinyl)methyl]propane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2-N-[(4-methyl-3-pyridinyl)methyl]propane-1,2-diamine (CID 82939347) is 1-N,1-N-dimethyl-2-N-[(4-methyl-3-pyridinyl)methyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2-N-[(4-methyl-3-pyridinyl)methyl]propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2-N-[(4-methyl-3-pyridinyl)methyl]propane-1,2-diamine is Cc1ccncc1CNC(C)CN(C)C.
What is the InChIKey of 1-N,1-N-dimethyl-2-N-[(4-methyl-3-pyridinyl)methyl]propane-1,2-diamine?
The InChIKey is WBSXJBBMCBPYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10-5-6-13-7-12(10)8-14-11(2)9-15(3)4/h5-7,11,14H,8-9H2,1-4H3.
What are the key properties of 1-N,1-N-dimethyl-2-N-[(4-methyl-3-pyridinyl)methyl]propane-1,2-diamine?
1-N,1-N-dimethyl-2-N-[(4-methyl-3-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-[(4-methyl-3-pyridinyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 82939347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).