(Z)-1-N-propyl-1-N-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]but-1-ene-1,2-diamine

C15H25F3N2 — CID 139435664

IUPAC(Z)-1-N-propyl-1-N-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]but-1-ene-1,2-diamine
SMILESCC/C=C(\C=C(/C)N(/C=C(\N)CC)CCC)C(F)(F)F
InChIInChI=1S/C15H25F3N2/c1-5-8-13(15(16,17)18)10-12(4)20(9-6-2)11-14(19)7-3/h8,10-11H,5-7,9,19H2,1-4H3/b12-10+,13-8+,14-11-
InChIKeyUQXSBXBNZDLJOT-GXGJVPANSA-N
MW290.37 g/mol
LogP4.71
Rot. Bonds7

About (Z)-1-N-propyl-1-N-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]but-1-ene-1,2-diamine

(Z)-1-N-propyl-1-N-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]but-1-ene-1,2-diamine (PubChem CID 139435664) has the molecular formula C15H25F3N2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (Z)-1-N-propyl-1-N-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]but-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N-propyl-1-N-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]but-1-ene-1,2-diamine
PubChem CID139435664
Molecular FormulaC15H25F3N2
Molecular Weight290.37 g/mol
Exact Mass290.20
IUPAC Name(Z)-1-N-propyl-1-N-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]but-1-ene-1,2-diamine
SMILESCC/C=C(\C=C(/C)N(/C=C(\N)CC)CCC)C(F)(F)F
InChIInChI=1S/C15H25F3N2/c1-5-8-13(15(16,17)18)10-12(4)20(9-6-2)11-14(19)7-3/h8,10-11H,5-7,9,19H2,1-4H3/b12-10+,13-8+,14-11-
InChIKeyUQXSBXBNZDLJOT-GXGJVPANSA-N
XLogP4.71
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(E)-1-N-ethenyl-2-N-hexa-1,5-dien-2-yl-1-N-[[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]prop-1-ene-1,2-diamine
CID 134525402
[1,6-dimethyl-4-(trifluoromethyl)-2H-pyridin-3-yl]methanamine
CID 140313167
(5E,7E,9Z)-1-methyl-8-(trifluoromethyl)-1,4-diazacyclododeca-5,7,9-triene
CID 142152683
(2E,4Z)-6-N,6-N-dimethyl-3-(trifluoromethyl)hepta-2,4,6-triene-1,6-diamine;ethane
CID 143085985
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CID 143303397
N,N'-dimethyl-N'-[(3Z)-5-(trifluoromethyl)hexa-1,3,5-trien-2-yl]ethane-1,2-diamine
CID 145278555
(2E,4Z)-1,1,1-trifluoro-6-[(4-methylpiperazin-1-yl)methyl]hepta-2,4,6-trien-3-amine
CID 146573445
1-(2,2-Difluoroethyl)-5,7-dimethyl-2,3-dihydroazepine
CID 153556775
(2E,3Z)-5-(difluoromethyl)-2-ethylidene-N-[(3E)-penta-1,3-dien-2-yl]hexa-3,5-dien-1-amine
CID 166922309
(E)-1-N-ethenyl-2-N-[(Z)-1-[(6E)-8-methylidene-1,2,3,9-tetrahydroazonin-6-yl]but-1-enyl]-1-N-[(3E,5Z)-2-methyl-4-(trifluoromethyl)octa-3,5-dienyl]prop-1-ene-1,2-diamine
CID 173759232

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-propyl-1-N-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]but-1-ene-1,2-diamine?
The IUPAC name of (Z)-1-N-propyl-1-N-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]but-1-ene-1,2-diamine (CID 139435664) is (Z)-1-N-propyl-1-N-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]but-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N-propyl-1-N-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]but-1-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N-propyl-1-N-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]but-1-ene-1,2-diamine is CC/C=C(\C=C(/C)N(/C=C(\N)CC)CCC)C(F)(F)F.
What is the InChIKey of (Z)-1-N-propyl-1-N-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]but-1-ene-1,2-diamine?
The InChIKey is UQXSBXBNZDLJOT-GXGJVPANSA-N. The full InChI is InChI=1S/C15H25F3N2/c1-5-8-13(15(16,17)18)10-12(4)20(9-6-2)11-14(19)7-3/h8,10-11H,5-7,9,19H2,1-4H3/b12-10+,13-8+,14-11-.
What are the key properties of (Z)-1-N-propyl-1-N-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]but-1-ene-1,2-diamine?
(Z)-1-N-propyl-1-N-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]but-1-ene-1,2-diamine has a molecular weight of 290.37 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-propyl-1-N-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]but-1-ene-1,2-diamine is sourced from PubChem (CID 139435664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).