N-propyl-N'-pyridin-4-ylethane-1,2-diamine

C10H17N3 — CID 62664105

IUPACN-propyl-N'-pyridin-4-ylethane-1,2-diamine
SMILESCCCNCCNc1ccncc1
InChIInChI=1S/C10H17N3/c1-2-5-11-8-9-13-10-3-6-12-7-4-10/h3-4,6-7,11H,2,5,8-9H2,1H3,(H,12,13)
InChIKeyZQOLAEACAPXPAO-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.49
Rot. Bonds6

About N-propyl-N'-pyridin-4-ylethane-1,2-diamine

N-propyl-N'-pyridin-4-ylethane-1,2-diamine (PubChem CID 62664105) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-propyl-N'-pyridin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-propyl-N'-pyridin-4-ylethane-1,2-diamine
PubChem CID62664105
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-propyl-N'-pyridin-4-ylethane-1,2-diamine
SMILESCCCNCCNc1ccncc1
InChIInChI=1S/C10H17N3/c1-2-5-11-8-9-13-10-3-6-12-7-4-10/h3-4,6-7,11H,2,5,8-9H2,1H3,(H,12,13)
InChIKeyZQOLAEACAPXPAO-UHFFFAOYSA-N
XLogP1.49
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N'-pyridin-4-ylethane-1,2-diamine?
The IUPAC name of N-propyl-N'-pyridin-4-ylethane-1,2-diamine (CID 62664105) is N-propyl-N'-pyridin-4-ylethane-1,2-diamine.
What is the SMILES notation for N-propyl-N'-pyridin-4-ylethane-1,2-diamine?
The canonical SMILES for N-propyl-N'-pyridin-4-ylethane-1,2-diamine is CCCNCCNc1ccncc1.
What is the InChIKey of N-propyl-N'-pyridin-4-ylethane-1,2-diamine?
The InChIKey is ZQOLAEACAPXPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-5-11-8-9-13-10-3-6-12-7-4-10/h3-4,6-7,11H,2,5,8-9H2,1H3,(H,12,13).
What are the key properties of N-propyl-N'-pyridin-4-ylethane-1,2-diamine?
N-propyl-N'-pyridin-4-ylethane-1,2-diamine has a molecular weight of 179.27 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N'-pyridin-4-ylethane-1,2-diamine is sourced from PubChem (CID 62664105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).