1-N,2-N-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine

C11H19N3 — CID 62432857

IUPAC1-N,2-N-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
SMILESCNCC(C)N(C)Cc1cccnc1
InChIInChI=1S/C11H19N3/c1-10(7-12-2)14(3)9-11-5-4-6-13-8-11/h4-6,8,10,12H,7,9H2,1-3H3
InChIKeyCWEWAUWFVHGRBF-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.12
Rot. Bonds5

About 1-N,2-N-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine

1-N,2-N-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine (PubChem CID 62432857) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-N,2-N-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
PubChem CID62432857
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-N,2-N-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine
SMILESCNCC(C)N(C)Cc1cccnc1
InChIInChI=1S/C11H19N3/c1-10(7-12-2)14(3)9-11-5-4-6-13-8-11/h4-6,8,10,12H,7,9H2,1-3H3
InChIKeyCWEWAUWFVHGRBF-UHFFFAOYSA-N
XLogP1.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine?
The IUPAC name of 1-N,2-N-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine (CID 62432857) is 1-N,2-N-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine?
The canonical SMILES for 1-N,2-N-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine is CNCC(C)N(C)Cc1cccnc1.
What is the InChIKey of 1-N,2-N-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine?
The InChIKey is CWEWAUWFVHGRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-10(7-12-2)14(3)9-11-5-4-6-13-8-11/h4-6,8,10,12H,7,9H2,1-3H3.
What are the key properties of 1-N,2-N-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine?
1-N,2-N-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine has a molecular weight of 193.29 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dimethyl-2-N-(pyridin-3-ylmethyl)propane-1,2-diamine is sourced from PubChem (CID 62432857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).