3-propan-2-yl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine

C14H29F3N2 — CID 115520311

IUPAC3-propan-2-yl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine
SMILESCC(C)C(CCN)CCCNCCCCC(F)(F)F
InChIInChI=1S/C14H29F3N2/c1-12(2)13(7-9-18)6-5-11-19-10-4-3-8-14(15,16)17/h12-13,19H,3-11,18H2,1-2H3
InChIKeyZBOSZAYMOULRHT-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.71
Rot. Bonds11

About 3-propan-2-yl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine

3-propan-2-yl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine (PubChem CID 115520311) has the molecular formula C14H29F3N2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-propan-2-yl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine.

Molecular Properties

Compound Name3-propan-2-yl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine
PubChem CID115520311
Molecular FormulaC14H29F3N2
Molecular Weight282.39 g/mol
Exact Mass282.23
IUPAC Name3-propan-2-yl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine
SMILESCC(C)C(CCN)CCCNCCCCC(F)(F)F
InChIInChI=1S/C14H29F3N2/c1-12(2)13(7-9-18)6-5-11-19-10-4-3-8-14(15,16)17/h12-13,19H,3-11,18H2,1-2H3
InChIKeyZBOSZAYMOULRHT-UHFFFAOYSA-N
XLogP3.71
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine
CID 115520404
1,1,1,9,9,9-hexafluoro-5-propan-2-ylnonane
CID 162503519
4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine
CID 115513588
3-propyl-N'-(4,4,4-trifluorobutyl)hexane-1,6-diamine
CID 115520156
N'-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 115513664
2-ethyl-N'-(5,5,5-trifluoropentyl)butane-1,4-diamine
CID 115520408
N'-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115513666
1-N-(4,4,4-trifluorobutyl)butane-1,3-diamine
CID 115520181
1-N-(3,3,3-trifluoropropyl)hexane-1,5-diamine
CID 82853346
7,7,7-trifluoro-3-methylheptan-1-amine
CID 116536083
N'-(3,3,3-trifluoropropyl)hexane-1,6-diamine
CID 63228081
3,3-dimethyl-N-(5,5,5-trifluoropentyl)butan-1-amine
CID 115517334

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine?
The IUPAC name of 3-propan-2-yl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine (CID 115520311) is 3-propan-2-yl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine.
What is the SMILES notation for 3-propan-2-yl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine?
The canonical SMILES for 3-propan-2-yl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine is CC(C)C(CCN)CCCNCCCCC(F)(F)F.
What is the InChIKey of 3-propan-2-yl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine?
The InChIKey is ZBOSZAYMOULRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F3N2/c1-12(2)13(7-9-18)6-5-11-19-10-4-3-8-14(15,16)17/h12-13,19H,3-11,18H2,1-2H3.
What are the key properties of 3-propan-2-yl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine?
3-propan-2-yl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine has a molecular weight of 282.39 g/mol, XLogP of 3.71, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine is sourced from PubChem (CID 115520311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).