1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine

C10H17N3 — CID 115196859

IUPAC1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
SMILESCC(N)CNCCc1ccccn1
InChIInChI=1S/C10H17N3/c1-9(11)8-12-7-5-10-4-2-3-6-13-10/h2-4,6,9,12H,5,7-8,11H2,1H3
InChIKeyQKOQSCDBXXHIFV-UHFFFAOYSA-N
MW179.27 g/mol
LogP0.56
Rot. Bonds5

About 1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine

1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine (PubChem CID 115196859) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
PubChem CID115196859
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
SMILESCC(N)CNCCc1ccccn1
InChIInChI=1S/C10H17N3/c1-9(11)8-12-7-5-10-4-2-3-6-13-10/h2-4,6,9,12H,5,7-8,11H2,1H3
InChIKeyQKOQSCDBXXHIFV-UHFFFAOYSA-N
XLogP0.56
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.56
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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Related Compounds

2-methyl-3-(2-pyridin-2-ylethylamino)propan-1-ol
CID 65036147
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine
CID 115200835
(2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol
CID 61149855
2-ethyl-N-methyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 115255161
N',N'-di(propan-2-yl)-N-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 60648012
2-N-cyclopropyl-2-N-methyl-1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 114133382
N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride
CID 11530463
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
methyl 2-acetamido-3-(2-pyridin-2-ylethylamino)propanoate
CID 103233877
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 24698631

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine?
The IUPAC name of 1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine (CID 115196859) is 1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine?
The canonical SMILES for 1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine is CC(N)CNCCc1ccccn1.
What is the InChIKey of 1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine?
The InChIKey is QKOQSCDBXXHIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-9(11)8-12-7-5-10-4-2-3-6-13-10/h2-4,6,9,12H,5,7-8,11H2,1H3.
What are the key properties of 1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine?
1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine has a molecular weight of 179.27 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-pyridin-2-ylethyl)propane-1,2-diamine is sourced from PubChem (CID 115196859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).