3-N,3-N'-di(propan-2-yl)-2H-pyridine-3,3-diamine

C11H21N3 — CID 141225360

IUPAC3-N,3-N'-di(propan-2-yl)-2H-pyridine-3,3-diamine
SMILESCC(C)NC1(NC(C)C)C=CC=NC1
InChIInChI=1S/C11H21N3/c1-9(2)13-11(14-10(3)4)6-5-7-12-8-11/h5-7,9-10,13-14H,8H2,1-4H3
InChIKeyJGQDQXPSEZQOJZ-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.32
Rot. Bonds4

About 3-N,3-N'-di(propan-2-yl)-2H-pyridine-3,3-diamine

3-N,3-N'-di(propan-2-yl)-2H-pyridine-3,3-diamine (PubChem CID 141225360) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-N,3-N'-di(propan-2-yl)-2H-pyridine-3,3-diamine.

Molecular Properties

Compound Name3-N,3-N'-di(propan-2-yl)-2H-pyridine-3,3-diamine
PubChem CID141225360
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name3-N,3-N'-di(propan-2-yl)-2H-pyridine-3,3-diamine
SMILESCC(C)NC1(NC(C)C)C=CC=NC1
InChIInChI=1S/C11H21N3/c1-9(2)13-11(14-10(3)4)6-5-7-12-8-11/h5-7,9-10,13-14H,8H2,1-4H3
InChIKeyJGQDQXPSEZQOJZ-UHFFFAOYSA-N
XLogP1.32
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.32
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
1-tert-butyl-3,4,4a,8a-tetrahydro-2H-pyrido[2,3-b]pyrazine
CID 58270271
N-methyl-2,3-dihydropyridin-3-amine
CID 70630719
3,4,4a,8a-Tetrahydropyrido[2,3-b]pyrazine
CID 91017102
3-N,3-N'-dimethyl-2H-pyridine-3,3-diamine
CID 141225359
3-N,3-N'-diethyl-2H-pyridine-3,3-diamine
CID 141225361
3-N,3-N'-dipropyl-2H-pyridine-3,3-diamine
CID 141225368
N-(2,3-dihydropyridin-2-ylmethyl)propan-2-amine
CID 142173291
3-Methyl-1,2,4a,8a-tetrahydropyrido[2,3-b]pyrazine
CID 144564941
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

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N'-di(propan-2-yl)-2H-pyridine-3,3-diamine?
The IUPAC name of 3-N,3-N'-di(propan-2-yl)-2H-pyridine-3,3-diamine (CID 141225360) is 3-N,3-N'-di(propan-2-yl)-2H-pyridine-3,3-diamine.
What is the SMILES notation for 3-N,3-N'-di(propan-2-yl)-2H-pyridine-3,3-diamine?
The canonical SMILES for 3-N,3-N'-di(propan-2-yl)-2H-pyridine-3,3-diamine is CC(C)NC1(NC(C)C)C=CC=NC1.
What is the InChIKey of 3-N,3-N'-di(propan-2-yl)-2H-pyridine-3,3-diamine?
The InChIKey is JGQDQXPSEZQOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(2)13-11(14-10(3)4)6-5-7-12-8-11/h5-7,9-10,13-14H,8H2,1-4H3.
What are the key properties of 3-N,3-N'-di(propan-2-yl)-2H-pyridine-3,3-diamine?
3-N,3-N'-di(propan-2-yl)-2H-pyridine-3,3-diamine has a molecular weight of 195.31 g/mol, XLogP of 1.32, 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'-di(propan-2-yl)-2H-pyridine-3,3-diamine is sourced from PubChem (CID 141225360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).