N,N-dimethyl-1-pyridin-3-ylethane-1,2-diamine

C9H15N3 — CID 3864338

IUPACN,N-dimethyl-1-pyridin-3-ylethane-1,2-diamine
SMILESCN(C)C(CN)c1cccnc1
InChIInChI=1S/C9H15N3/c1-12(2)9(6-10)8-4-3-5-11-7-8/h3-5,7,9H,6,10H2,1-2H3
InChIKeyPEQPPVGTDBKQPE-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.64
Rot. Bonds3

About N,N-dimethyl-1-pyridin-3-ylethane-1,2-diamine

N,N-dimethyl-1-pyridin-3-ylethane-1,2-diamine (PubChem CID 3864338) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is N,N-dimethyl-1-pyridin-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-pyridin-3-ylethane-1,2-diamine
PubChem CID3864338
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC NameN,N-dimethyl-1-pyridin-3-ylethane-1,2-diamine
SMILESCN(C)C(CN)c1cccnc1
InChIInChI=1S/C9H15N3/c1-12(2)9(6-10)8-4-3-5-11-7-8/h3-5,7,9H,6,10H2,1-2H3
InChIKeyPEQPPVGTDBKQPE-UHFFFAOYSA-N
XLogP0.64
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-pyridin-3-ylethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-1-pyridin-3-ylethane-1,2-diamine (CID 3864338) is N,N-dimethyl-1-pyridin-3-ylethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-1-pyridin-3-ylethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-1-pyridin-3-ylethane-1,2-diamine is CN(C)C(CN)c1cccnc1.
What is the InChIKey of N,N-dimethyl-1-pyridin-3-ylethane-1,2-diamine?
The InChIKey is PEQPPVGTDBKQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-12(2)9(6-10)8-4-3-5-11-7-8/h3-5,7,9H,6,10H2,1-2H3.
What are the key properties of N,N-dimethyl-1-pyridin-3-ylethane-1,2-diamine?
N,N-dimethyl-1-pyridin-3-ylethane-1,2-diamine has a molecular weight of 165.24 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-pyridin-3-ylethane-1,2-diamine is sourced from PubChem (CID 3864338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).