2-(aminomethyl)-N'-[2-(aminomethyl)-5,5,5-trifluoro-2-propylpentyl]-2-methylpentane-1,5-diamine

C16H35F3N4 — CID 155067708

IUPAC2-(aminomethyl)-N'-[2-(aminomethyl)-5,5,5-trifluoro-2-propylpentyl]-2-methylpentane-1,5-diamine
SMILESCCCC(CN)(CCC(F)(F)F)CNCCCC(C)(CN)CN
InChIInChI=1S/C16H35F3N4/c1-3-5-15(12-22,7-8-16(17,18)19)13-23-9-4-6-14(2,10-20)11-21/h23H,3-13,20-22H2,1-2H3
InChIKeyBCFGIJYBXQZXRM-UHFFFAOYSA-N
MW340.48 g/mol
LogP2.37
Rot. Bonds13

About 2-(aminomethyl)-N'-[2-(aminomethyl)-5,5,5-trifluoro-2-propylpentyl]-2-methylpentane-1,5-diamine

2-(aminomethyl)-N'-[2-(aminomethyl)-5,5,5-trifluoro-2-propylpentyl]-2-methylpentane-1,5-diamine (PubChem CID 155067708) has the molecular formula C16H35F3N4 and a molecular weight of 340.48 g/mol. Its IUPAC name is 2-(aminomethyl)-N'-[2-(aminomethyl)-5,5,5-trifluoro-2-propylpentyl]-2-methylpentane-1,5-diamine.

Molecular Properties

Compound Name2-(aminomethyl)-N'-[2-(aminomethyl)-5,5,5-trifluoro-2-propylpentyl]-2-methylpentane-1,5-diamine
PubChem CID155067708
Molecular FormulaC16H35F3N4
Molecular Weight340.48 g/mol
Exact Mass340.28
IUPAC Name2-(aminomethyl)-N'-[2-(aminomethyl)-5,5,5-trifluoro-2-propylpentyl]-2-methylpentane-1,5-diamine
SMILESCCCC(CN)(CCC(F)(F)F)CNCCCC(C)(CN)CN
InChIInChI=1S/C16H35F3N4/c1-3-5-15(12-22,7-8-16(17,18)19)13-23-9-4-6-14(2,10-20)11-21/h23H,3-13,20-22H2,1-2H3
InChIKeyBCFGIJYBXQZXRM-UHFFFAOYSA-N
XLogP2.37
TPSA90.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.48
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 2-(aminomethyl)-N'-[2-(aminomethyl)-5,5,5-trifluoro-2-propylpentyl]-2-methylpentane-1,5-diamine?
The IUPAC name of 2-(aminomethyl)-N'-[2-(aminomethyl)-5,5,5-trifluoro-2-propylpentyl]-2-methylpentane-1,5-diamine (CID 155067708) is 2-(aminomethyl)-N'-[2-(aminomethyl)-5,5,5-trifluoro-2-propylpentyl]-2-methylpentane-1,5-diamine.
What is the SMILES notation for 2-(aminomethyl)-N'-[2-(aminomethyl)-5,5,5-trifluoro-2-propylpentyl]-2-methylpentane-1,5-diamine?
The canonical SMILES for 2-(aminomethyl)-N'-[2-(aminomethyl)-5,5,5-trifluoro-2-propylpentyl]-2-methylpentane-1,5-diamine is CCCC(CN)(CCC(F)(F)F)CNCCCC(C)(CN)CN.
What is the InChIKey of 2-(aminomethyl)-N'-[2-(aminomethyl)-5,5,5-trifluoro-2-propylpentyl]-2-methylpentane-1,5-diamine?
The InChIKey is BCFGIJYBXQZXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35F3N4/c1-3-5-15(12-22,7-8-16(17,18)19)13-23-9-4-6-14(2,10-20)11-21/h23H,3-13,20-22H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N'-[2-(aminomethyl)-5,5,5-trifluoro-2-propylpentyl]-2-methylpentane-1,5-diamine?
2-(aminomethyl)-N'-[2-(aminomethyl)-5,5,5-trifluoro-2-propylpentyl]-2-methylpentane-1,5-diamine has a molecular weight of 340.48 g/mol, XLogP of 2.37, 13 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)-5,5,5-trifluoro-2-propylpentyl]-2-methylpentane-1,5-diamine is sourced from PubChem (CID 155067708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).