3-N,3-N'-diethyl-2H-pyridine-3,3-diamine

C9H17N3 — CID 141225361

IUPAC3-N,3-N'-diethyl-2H-pyridine-3,3-diamine
SMILESCCNC1(NCC)C=CC=NC1
InChIInChI=1S/C9H17N3/c1-3-11-9(12-4-2)6-5-7-10-8-9/h5-7,11-12H,3-4,8H2,1-2H3
InChIKeyANJUNJGYVSCMAL-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.54
Rot. Bonds4

About 3-N,3-N'-diethyl-2H-pyridine-3,3-diamine

3-N,3-N'-diethyl-2H-pyridine-3,3-diamine (PubChem CID 141225361) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 3-N,3-N'-diethyl-2H-pyridine-3,3-diamine.

Molecular Properties

Compound Name3-N,3-N'-diethyl-2H-pyridine-3,3-diamine
PubChem CID141225361
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name3-N,3-N'-diethyl-2H-pyridine-3,3-diamine
SMILESCCNC1(NCC)C=CC=NC1
InChIInChI=1S/C9H17N3/c1-3-11-9(12-4-2)6-5-7-10-8-9/h5-7,11-12H,3-4,8H2,1-2H3
InChIKeyANJUNJGYVSCMAL-UHFFFAOYSA-N
XLogP0.54
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-piperazin-1-yl-2H-pyridin-3-amine
CID 19981942
3,4,4a,8a-Tetrahydropyrido[2,3-b]pyrazine
CID 91017102
N-ethyl-2-[[(Z)-pent-2-enylidene]amino]ethanamine
CID 132002063
3-N,3-N'-dimethyl-2H-pyridine-3,3-diamine
CID 141225359
3-N,3-N'-di(propan-2-yl)-2H-pyridine-3,3-diamine
CID 141225360
3-N,3-N'-dipropyl-2H-pyridine-3,3-diamine
CID 141225368
1,7,10-Triazaspiro[4.5]deca-1,3-diene
CID 150440673
2-ethyl-3-N,3-N'-di(propan-2-yl)-2H-pyridine-3,3-diamine
CID 151431652
2-N-methyl-2,3-dihydropyridine-2,3-diamine
CID 163541354
N'-(2,3-dihydropyridin-2-yl)-N'-methylethane-1,2-diamine
CID 166813243
2-N-methyl-6-N-(2H-pyrrol-2-ylmethyl)-1,2,3,4-tetrahydropyridine-2,6-diamine
CID 166916558

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N'-diethyl-2H-pyridine-3,3-diamine?
The IUPAC name of 3-N,3-N'-diethyl-2H-pyridine-3,3-diamine (CID 141225361) is 3-N,3-N'-diethyl-2H-pyridine-3,3-diamine.
What is the SMILES notation for 3-N,3-N'-diethyl-2H-pyridine-3,3-diamine?
The canonical SMILES for 3-N,3-N'-diethyl-2H-pyridine-3,3-diamine is CCNC1(NCC)C=CC=NC1.
What is the InChIKey of 3-N,3-N'-diethyl-2H-pyridine-3,3-diamine?
The InChIKey is ANJUNJGYVSCMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-11-9(12-4-2)6-5-7-10-8-9/h5-7,11-12H,3-4,8H2,1-2H3.
What are the key properties of 3-N,3-N'-diethyl-2H-pyridine-3,3-diamine?
3-N,3-N'-diethyl-2H-pyridine-3,3-diamine has a molecular weight of 167.26 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N'-diethyl-2H-pyridine-3,3-diamine is sourced from PubChem (CID 141225361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).