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

C7H13N3 — CID 141225359

IUPAC3-N,3-N'-dimethyl-2H-pyridine-3,3-diamine
SMILESCNC1(NC)C=CC=NC1
InChIInChI=1S/C7H13N3/c1-8-7(9-2)4-3-5-10-6-7/h3-5,8-9H,6H2,1-2H3
InChIKeyPTEMDNWLXQZURG-UHFFFAOYSA-N
MW139.20 g/mol
LogP-0.24
Rot. Bonds2

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

3-N,3-N'-dimethyl-2H-pyridine-3,3-diamine (PubChem CID 141225359) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-N,3-N'-dimethyl-2H-pyridine-3,3-diamine.

Molecular Properties

Compound Name3-N,3-N'-dimethyl-2H-pyridine-3,3-diamine
PubChem CID141225359
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name3-N,3-N'-dimethyl-2H-pyridine-3,3-diamine
SMILESCNC1(NC)C=CC=NC1
InChIInChI=1S/C7H13N3/c1-8-7(9-2)4-3-5-10-6-7/h3-5,8-9H,6H2,1-2H3
InChIKeyPTEMDNWLXQZURG-UHFFFAOYSA-N
XLogP-0.24
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.24
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

2-N-methyl-3-(trifluoromethyl)-2H-pyridine-2,3-diamine
CID 166063804
N-methyl-2,3-dihydropyridin-3-amine
CID 70630719
3,4,4a,8a-Tetrahydropyrido[2,3-b]pyrazine
CID 91017102
N-methyl-2,3-dihydropyridin-2-amine
CID 138478210
3-N,3-N'-di(propan-2-yl)-2H-pyridine-3,3-diamine
CID 141225360
3-N,3-N'-diethyl-2H-pyridine-3,3-diamine
CID 141225361
3-N,3-N'-dipropyl-2H-pyridine-3,3-diamine
CID 141225368
2H-pyridine-3,3-diamine
CID 141229879
1,7,10-Triazaspiro[4.5]deca-1,3-diene
CID 150440673
3-methyl-2H-pyridine-2,3-diamine
CID 154105183
2-N-methyl-2,3-dihydropyridine-2,3-diamine
CID 163541354
N,2-dimethyl-3H-pyridin-2-amine
CID 163971056

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N'-dimethyl-2H-pyridine-3,3-diamine?
The IUPAC name of 3-N,3-N'-dimethyl-2H-pyridine-3,3-diamine (CID 141225359) is 3-N,3-N'-dimethyl-2H-pyridine-3,3-diamine.
What is the SMILES notation for 3-N,3-N'-dimethyl-2H-pyridine-3,3-diamine?
The canonical SMILES for 3-N,3-N'-dimethyl-2H-pyridine-3,3-diamine is CNC1(NC)C=CC=NC1.
What is the InChIKey of 3-N,3-N'-dimethyl-2H-pyridine-3,3-diamine?
The InChIKey is PTEMDNWLXQZURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-8-7(9-2)4-3-5-10-6-7/h3-5,8-9H,6H2,1-2H3.
What are the key properties of 3-N,3-N'-dimethyl-2H-pyridine-3,3-diamine?
3-N,3-N'-dimethyl-2H-pyridine-3,3-diamine has a molecular weight of 139.20 g/mol, XLogP of -0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N'-dimethyl-2H-pyridine-3,3-diamine is sourced from PubChem (CID 141225359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).