N'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine

C14H25N3 — CID 55089689

IUPACN'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCCCN(CCNCc1ccccn1)C(C)C
InChIInChI=1S/C14H25N3/c1-4-10-17(13(2)3)11-9-15-12-14-7-5-6-8-16-14/h5-8,13,15H,4,9-12H2,1-3H3
InChIKeyOUSKKPSCDWRMME-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.29
Rot. Bonds8

About N'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine

N'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 55089689) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
PubChem CID55089689
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCCCN(CCNCc1ccccn1)C(C)C
InChIInChI=1S/C14H25N3/c1-4-10-17(13(2)3)11-9-15-12-14-7-5-6-8-16-14/h5-8,13,15H,4,9-12H2,1-3H3
InChIKeyOUSKKPSCDWRMME-UHFFFAOYSA-N
XLogP2.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-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'-(cyclopropylmethyl)-N'-propan-2-yl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62557048
N'-[ethoxy(pyridin-2-yl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 15905284
N'-propyl-N-(pyridin-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554005
ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
CID 144892285
2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 115581231
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
2-butan-2-yloxy-N-(pyridin-2-ylmethyl)ethanamine
CID 62583986
N'-(2-methoxyethyl)-N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62555011
N',N'-bis[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 102390835
1-[2-[ethyl(propan-2-yl)amino]ethyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 110970160
N'-ethyl-N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62574145
N'-ethyl-N,N-dimethyl-N'-[2-(pyridin-2-ylmethylamino)ethyl]propane-1,3-diamine
CID 102997784

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine (CID 55089689) is N'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine is CCCN(CCNCc1ccccn1)C(C)C.
What is the InChIKey of N'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is OUSKKPSCDWRMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-10-17(13(2)3)11-9-15-12-14-7-5-6-8-16-14/h5-8,13,15H,4,9-12H2,1-3H3.
What are the key properties of N'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine?
N'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 235.38 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 55089689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).