2-(aminomethyl)-N'-[2-(aminomethyl)-2-(2,2,2-trifluoroethyl)pentyl]-2-propylpentane-1,5-diamine

C17H37F3N4 — CID 155067709

IUPAC2-(aminomethyl)-N'-[2-(aminomethyl)-2-(2,2,2-trifluoroethyl)pentyl]-2-propylpentane-1,5-diamine
SMILESCCCC(CN)(CN)CCCNCC(CN)(CCC)CC(F)(F)F
InChIInChI=1S/C17H37F3N4/c1-3-6-15(11-21,12-22)8-5-9-24-14-16(13-23,7-4-2)10-17(18,19)20/h24H,3-14,21-23H2,1-2H3
InChIKeyPJWGVAUGAPEQCK-UHFFFAOYSA-N
MW354.51 g/mol
LogP2.76
Rot. Bonds14

About 2-(aminomethyl)-N'-[2-(aminomethyl)-2-(2,2,2-trifluoroethyl)pentyl]-2-propylpentane-1,5-diamine

2-(aminomethyl)-N'-[2-(aminomethyl)-2-(2,2,2-trifluoroethyl)pentyl]-2-propylpentane-1,5-diamine (PubChem CID 155067709) has the molecular formula C17H37F3N4 and a molecular weight of 354.51 g/mol. Its IUPAC name is 2-(aminomethyl)-N'-[2-(aminomethyl)-2-(2,2,2-trifluoroethyl)pentyl]-2-propylpentane-1,5-diamine.

Molecular Properties

Compound Name2-(aminomethyl)-N'-[2-(aminomethyl)-2-(2,2,2-trifluoroethyl)pentyl]-2-propylpentane-1,5-diamine
PubChem CID155067709
Molecular FormulaC17H37F3N4
Molecular Weight354.51 g/mol
Exact Mass354.30
IUPAC Name2-(aminomethyl)-N'-[2-(aminomethyl)-2-(2,2,2-trifluoroethyl)pentyl]-2-propylpentane-1,5-diamine
SMILESCCCC(CN)(CN)CCCNCC(CN)(CCC)CC(F)(F)F
InChIInChI=1S/C17H37F3N4/c1-3-6-15(11-21,12-22)8-5-9-24-14-16(13-23,7-4-2)10-17(18,19)20/h24H,3-14,21-23H2,1-2H3
InChIKeyPJWGVAUGAPEQCK-UHFFFAOYSA-N
XLogP2.76
TPSA90.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.51
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(aminomethyl)-N'-[2-(aminomethyl)-2-(2,2,2-trifluoroethyl)pentyl]-2-propylpentane-1,5-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N'-[2-(aminomethyl)-2-(2,2,2-trifluoroethyl)pentyl]-2-propylpentane-1,5-diamine?
The IUPAC name of 2-(aminomethyl)-N'-[2-(aminomethyl)-2-(2,2,2-trifluoroethyl)pentyl]-2-propylpentane-1,5-diamine (CID 155067709) is 2-(aminomethyl)-N'-[2-(aminomethyl)-2-(2,2,2-trifluoroethyl)pentyl]-2-propylpentane-1,5-diamine.
What is the SMILES notation for 2-(aminomethyl)-N'-[2-(aminomethyl)-2-(2,2,2-trifluoroethyl)pentyl]-2-propylpentane-1,5-diamine?
The canonical SMILES for 2-(aminomethyl)-N'-[2-(aminomethyl)-2-(2,2,2-trifluoroethyl)pentyl]-2-propylpentane-1,5-diamine is CCCC(CN)(CN)CCCNCC(CN)(CCC)CC(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-N'-[2-(aminomethyl)-2-(2,2,2-trifluoroethyl)pentyl]-2-propylpentane-1,5-diamine?
The InChIKey is PJWGVAUGAPEQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37F3N4/c1-3-6-15(11-21,12-22)8-5-9-24-14-16(13-23,7-4-2)10-17(18,19)20/h24H,3-14,21-23H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N'-[2-(aminomethyl)-2-(2,2,2-trifluoroethyl)pentyl]-2-propylpentane-1,5-diamine?
2-(aminomethyl)-N'-[2-(aminomethyl)-2-(2,2,2-trifluoroethyl)pentyl]-2-propylpentane-1,5-diamine has a molecular weight of 354.51 g/mol, XLogP of 2.76, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N'-[2-(aminomethyl)-2-(2,2,2-trifluoroethyl)pentyl]-2-propylpentane-1,5-diamine is sourced from PubChem (CID 155067709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).