N-cyclobutyl-2-(cyclopropanecarboximidoyl)pyridin-3-amine

C13H17N3 — CID 166994906

IUPACN-cyclobutyl-2-(cyclopropanecarboximidoyl)pyridin-3-amine
SMILES[H]/N=C(/c1ncccc1NC1CCC1)C1CC1
InChIInChI=1S/C13H17N3/c14-12(9-6-7-9)13-11(5-2-8-15-13)16-10-3-1-4-10/h2,5,8-10,14,16H,1,3-4,6-7H2/b14-12+
InChIKeyMLJPYNAMCXOYNN-WYMLVPIESA-N
MW215.30 g/mol
LogP2.82
Rot. Bonds4

About N-cyclobutyl-2-(cyclopropanecarboximidoyl)pyridin-3-amine

N-cyclobutyl-2-(cyclopropanecarboximidoyl)pyridin-3-amine (PubChem CID 166994906) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-cyclobutyl-2-(cyclopropanecarboximidoyl)pyridin-3-amine.

Molecular Properties

Compound NameN-cyclobutyl-2-(cyclopropanecarboximidoyl)pyridin-3-amine
PubChem CID166994906
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-cyclobutyl-2-(cyclopropanecarboximidoyl)pyridin-3-amine
SMILES[H]/N=C(/c1ncccc1NC1CCC1)C1CC1
InChIInChI=1S/C13H17N3/c14-12(9-6-7-9)13-11(5-2-8-15-13)16-10-3-1-4-10/h2,5,8-10,14,16H,1,3-4,6-7H2/b14-12+
InChIKeyMLJPYNAMCXOYNN-WYMLVPIESA-N
XLogP2.82
TPSA48.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-2-(cyclopropanecarboximidoyl)pyridin-3-amine?
The IUPAC name of N-cyclobutyl-2-(cyclopropanecarboximidoyl)pyridin-3-amine (CID 166994906) is N-cyclobutyl-2-(cyclopropanecarboximidoyl)pyridin-3-amine.
What is the SMILES notation for N-cyclobutyl-2-(cyclopropanecarboximidoyl)pyridin-3-amine?
The canonical SMILES for N-cyclobutyl-2-(cyclopropanecarboximidoyl)pyridin-3-amine is [H]/N=C(/c1ncccc1NC1CCC1)C1CC1.
What is the InChIKey of N-cyclobutyl-2-(cyclopropanecarboximidoyl)pyridin-3-amine?
The InChIKey is MLJPYNAMCXOYNN-WYMLVPIESA-N. The full InChI is InChI=1S/C13H17N3/c14-12(9-6-7-9)13-11(5-2-8-15-13)16-10-3-1-4-10/h2,5,8-10,14,16H,1,3-4,6-7H2/b14-12+.
What are the key properties of N-cyclobutyl-2-(cyclopropanecarboximidoyl)pyridin-3-amine?
N-cyclobutyl-2-(cyclopropanecarboximidoyl)pyridin-3-amine has a molecular weight of 215.30 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-2-(cyclopropanecarboximidoyl)pyridin-3-amine is sourced from PubChem (CID 166994906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).