N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,4,4,4-pentafluorobut-1-en-2-yl)propane-1,3-diamine

C14H23F5N2 — CID 134442061

IUPACN-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,4,4,4-pentafluorobut-1-en-2-yl)propane-1,3-diamine
SMILESC=C(CC(C)(C)C)NCCCNC(=C)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H23F5N2/c1-10(9-12(3,4)5)20-7-6-8-21-11(2)13(15,16)14(17,18)19/h20-21H,1-2,6-9H2,3-5H3
InChIKeyYUVXGFRPVOBUJL-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.22
Rot. Bonds8

About N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,4,4,4-pentafluorobut-1-en-2-yl)propane-1,3-diamine

N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,4,4,4-pentafluorobut-1-en-2-yl)propane-1,3-diamine (PubChem CID 134442061) has the molecular formula C14H23F5N2 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,4,4,4-pentafluorobut-1-en-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,4,4,4-pentafluorobut-1-en-2-yl)propane-1,3-diamine
PubChem CID134442061
Molecular FormulaC14H23F5N2
Molecular Weight314.34 g/mol
Exact Mass314.18
IUPAC NameN-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,4,4,4-pentafluorobut-1-en-2-yl)propane-1,3-diamine
SMILESC=C(CC(C)(C)C)NCCCNC(=C)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H23F5N2/c1-10(9-12(3,4)5)20-7-6-8-21-11(2)13(15,16)14(17,18)19/h20-21H,1-2,6-9H2,3-5H3
InChIKeyYUVXGFRPVOBUJL-UHFFFAOYSA-N
XLogP4.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine
CID 58530456
4-N-(3-fluoro-2-methylbutyl)-2-N-propylpenta-1,4-diene-2,4-diamine
CID 130242921
N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,3-trifluoroprop-1-en-2-yl)butane-1,4-diamine
CID 134441684
1-N-methyl-4-N-(2,2,2-trifluoroethyl)pent-4-ene-1,4-diamine
CID 134441892
4-N-(3-fluoro-3-methylbutyl)-3,3-dimethylpenta-1,4-diene-2,4-diamine
CID 145203204
2-fluoro-3,3-dimethyl-N-(3-methylbut-1-en-2-yl)butan-1-amine
CID 153602081
4-N-(2,3-difluoro-2,3-dimethylbutyl)-3,3-dimethylpenta-1,4-diene-2,4-diamine
CID 154937054
3,3-dimethyl-4-N-(2,2,3,3-tetrafluorobutyl)penta-1,4-diene-2,4-diamine
CID 154937055
1-N,2-N-bis(4,4-dimethylpent-1-en-2-yl)-3,3,3-trifluoropropane-1,2-diamine
CID 174329365
N-but-1-en-2-yl-2,3-dimethyl-2-(trifluoromethyl)butan-1-amine
CID 162616930
N-(3,3-dimethylpent-1-en-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 87103401
5-N,3-dimethyl-3-(methylaminomethyl)-2-N-prop-1-en-2-ylhexa-1,5-diene-2,5-diamine
CID 126748512

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,4,4,4-pentafluorobut-1-en-2-yl)propane-1,3-diamine?
The IUPAC name of N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,4,4,4-pentafluorobut-1-en-2-yl)propane-1,3-diamine (CID 134442061) is N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,4,4,4-pentafluorobut-1-en-2-yl)propane-1,3-diamine.
What is the SMILES notation for N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,4,4,4-pentafluorobut-1-en-2-yl)propane-1,3-diamine?
The canonical SMILES for N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,4,4,4-pentafluorobut-1-en-2-yl)propane-1,3-diamine is C=C(CC(C)(C)C)NCCCNC(=C)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,4,4,4-pentafluorobut-1-en-2-yl)propane-1,3-diamine?
The InChIKey is YUVXGFRPVOBUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F5N2/c1-10(9-12(3,4)5)20-7-6-8-21-11(2)13(15,16)14(17,18)19/h20-21H,1-2,6-9H2,3-5H3.
What are the key properties of N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,4,4,4-pentafluorobut-1-en-2-yl)propane-1,3-diamine?
N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,4,4,4-pentafluorobut-1-en-2-yl)propane-1,3-diamine has a molecular weight of 314.34 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpent-1-en-2-yl)-N'-(3,3,4,4,4-pentafluorobut-1-en-2-yl)propane-1,3-diamine is sourced from PubChem (CID 134442061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).