N',N'-di(propan-2-yl)-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine

C12H25F3N2 — CID 115513417

IUPACN',N'-di(propan-2-yl)-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine
SMILESCC(C)N(CCNCCCC(F)(F)F)C(C)C
InChIInChI=1S/C12H25F3N2/c1-10(2)17(11(3)4)9-8-16-7-5-6-12(13,14)15/h10-11,16H,5-9H2,1-4H3
InChIKeyONHAVZPXIDJMJD-UHFFFAOYSA-N
MW254.34 g/mol
LogP3.04
Rot. Bonds8

About N',N'-di(propan-2-yl)-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine

N',N'-di(propan-2-yl)-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine (PubChem CID 115513417) has the molecular formula C12H25F3N2 and a molecular weight of 254.34 g/mol. Its IUPAC name is N',N'-di(propan-2-yl)-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-di(propan-2-yl)-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine
PubChem CID115513417
Molecular FormulaC12H25F3N2
Molecular Weight254.34 g/mol
Exact Mass254.20
IUPAC NameN',N'-di(propan-2-yl)-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine
SMILESCC(C)N(CCNCCCC(F)(F)F)C(C)C
InChIInChI=1S/C12H25F3N2/c1-10(2)17(11(3)4)9-8-16-7-5-6-12(13,14)15/h10-11,16H,5-9H2,1-4H3
InChIKeyONHAVZPXIDJMJD-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N'-propan-2-yl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 106045632
N-(3-fluoropropyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 81106048
N',N'-di(propan-2-yl)-N-(6,6,6-trifluorohexan-2-yl)ethane-1,2-diamine
CID 116533966
4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine
CID 115513588
N',N'-dimethyl-N-(5,5,5-trifluoropentyl)ethane-1,2-diamine
CID 115518829
N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 106045562
4-[2-[di(propan-2-yl)amino]ethylamino]butanenitrile
CID 28568679
4-[2-[di(propan-2-yl)amino]ethylamino]-2-methylbutan-2-ol
CID 79361244
N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine
CID 64554827
1-N-(4,4,4-trifluorobutyl)butane-1,3-diamine
CID 115520181
5-[2-[di(propan-2-yl)amino]ethylamino]pentan-1-ol
CID 62228638
N-methyl-N'-(4,4,4-trifluorobutyl)butane-1,4-diamine
CID 115520274

Frequently Asked Questions

What is the IUPAC name of N',N'-di(propan-2-yl)-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine?
The IUPAC name of N',N'-di(propan-2-yl)-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine (CID 115513417) is N',N'-di(propan-2-yl)-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-di(propan-2-yl)-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-di(propan-2-yl)-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine is CC(C)N(CCNCCCC(F)(F)F)C(C)C.
What is the InChIKey of N',N'-di(propan-2-yl)-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine?
The InChIKey is ONHAVZPXIDJMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2/c1-10(2)17(11(3)4)9-8-16-7-5-6-12(13,14)15/h10-11,16H,5-9H2,1-4H3.
What are the key properties of N',N'-di(propan-2-yl)-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine?
N',N'-di(propan-2-yl)-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine has a molecular weight of 254.34 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-di(propan-2-yl)-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine is sourced from PubChem (CID 115513417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).