N-ethyl-N'-pyridin-2-ylpropane-1,3-diamine

C10H17N3 — CID 61020117

IUPACN-ethyl-N'-pyridin-2-ylpropane-1,3-diamine
SMILESCCNCCCNc1ccccn1
InChIInChI=1S/C10H17N3/c1-2-11-7-5-9-13-10-6-3-4-8-12-10/h3-4,6,8,11H,2,5,7,9H2,1H3,(H,12,13)
InChIKeyCMYZEFMPZYXIMM-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.49
Rot. Bonds6

About N-ethyl-N'-pyridin-2-ylpropane-1,3-diamine

N-ethyl-N'-pyridin-2-ylpropane-1,3-diamine (PubChem CID 61020117) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-ethyl-N'-pyridin-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-ethyl-N'-pyridin-2-ylpropane-1,3-diamine
PubChem CID61020117
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-ethyl-N'-pyridin-2-ylpropane-1,3-diamine
SMILESCCNCCCNc1ccccn1
InChIInChI=1S/C10H17N3/c1-2-11-7-5-9-13-10-6-3-4-8-12-10/h3-4,6,8,11H,2,5,7,9H2,1H3,(H,12,13)
InChIKeyCMYZEFMPZYXIMM-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'}

Analyze N-ethyl-N'-pyridin-2-ylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butylpyridin-2-amine
CID 14322668
N,N'-dipyridin-2-ylnonane-1,9-diamine
CID 86213861
N-(3-chloropropyl)pyridin-2-amine
CID 22118637
N-(4-chlorobutyl)pyridin-2-amine
CID 106845032
N-(3-butoxypropyl)pyridin-2-amine
CID 115569614
N-(5-chloropentyl)pyridin-2-amine
CID 107320546
N-(4-methylsulfanylbutyl)pyridin-2-amine
CID 115637469
N-pent-4-ynylpyridin-2-amine
CID 103704473
N-ethyl-3-pyridin-2-ylpropan-1-amine
CID 59134802
N-(2-fluoroethyl)pyridin-2-amine
CID 23204810
1-tert-butyl-3-ethyl-2-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
CID 110966441
N-[(2-fluorophenyl)methyl]-N'-pyridin-2-ylhexane-1,6-diamine
CID 4288141

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-pyridin-2-ylpropane-1,3-diamine?
The IUPAC name of N-ethyl-N'-pyridin-2-ylpropane-1,3-diamine (CID 61020117) is N-ethyl-N'-pyridin-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-ethyl-N'-pyridin-2-ylpropane-1,3-diamine?
The canonical SMILES for N-ethyl-N'-pyridin-2-ylpropane-1,3-diamine is CCNCCCNc1ccccn1.
What is the InChIKey of N-ethyl-N'-pyridin-2-ylpropane-1,3-diamine?
The InChIKey is CMYZEFMPZYXIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-11-7-5-9-13-10-6-3-4-8-12-10/h3-4,6,8,11H,2,5,7,9H2,1H3,(H,12,13).
What are the key properties of N-ethyl-N'-pyridin-2-ylpropane-1,3-diamine?
N-ethyl-N'-pyridin-2-ylpropane-1,3-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-ethyl-N'-pyridin-2-ylpropane-1,3-diamine is sourced from PubChem (CID 61020117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).