N,3-dimethyl-2-propanimidoyl-4H-pyridin-3-amine

C10H17N3 — CID 145255812

IUPACN,3-dimethyl-2-propanimidoyl-4H-pyridin-3-amine
SMILES[H]/N=C(\CC)C1=NC=CCC1(C)NC
InChIInChI=1S/C10H17N3/c1-4-8(11)9-10(2,12-3)6-5-7-13-9/h5,7,11-12H,4,6H2,1-3H3/b11-8+
InChIKeyYIEOTFVQQQWHDE-DHZHZOJOSA-N
MW179.27 g/mol
LogP1.75
Rot. Bonds3

About N,3-dimethyl-2-propanimidoyl-4H-pyridin-3-amine

N,3-dimethyl-2-propanimidoyl-4H-pyridin-3-amine (PubChem CID 145255812) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N,3-dimethyl-2-propanimidoyl-4H-pyridin-3-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-propanimidoyl-4H-pyridin-3-amine
PubChem CID145255812
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN,3-dimethyl-2-propanimidoyl-4H-pyridin-3-amine
SMILES[H]/N=C(\CC)C1=NC=CCC1(C)NC
InChIInChI=1S/C10H17N3/c1-4-8(11)9-10(2,12-3)6-5-7-13-9/h5,7,11-12H,4,6H2,1-3H3/b11-8+
InChIKeyYIEOTFVQQQWHDE-DHZHZOJOSA-N
XLogP1.75
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.75
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,3-dimethyl-2-propanimidoyl-4H-pyridin-3-amine?
The IUPAC name of N,3-dimethyl-2-propanimidoyl-4H-pyridin-3-amine (CID 145255812) is N,3-dimethyl-2-propanimidoyl-4H-pyridin-3-amine.
What is the SMILES notation for N,3-dimethyl-2-propanimidoyl-4H-pyridin-3-amine?
The canonical SMILES for N,3-dimethyl-2-propanimidoyl-4H-pyridin-3-amine is [H]/N=C(\CC)C1=NC=CCC1(C)NC.
What is the InChIKey of N,3-dimethyl-2-propanimidoyl-4H-pyridin-3-amine?
The InChIKey is YIEOTFVQQQWHDE-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H17N3/c1-4-8(11)9-10(2,12-3)6-5-7-13-9/h5,7,11-12H,4,6H2,1-3H3/b11-8+.
What are the key properties of N,3-dimethyl-2-propanimidoyl-4H-pyridin-3-amine?
N,3-dimethyl-2-propanimidoyl-4H-pyridin-3-amine has a molecular weight of 179.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-propanimidoyl-4H-pyridin-3-amine is sourced from PubChem (CID 145255812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).