(1Z,3Z)-1-N',1-N'-dipropyl-2-(trifluoromethyl)penta-1,3-diene-1,1-diamine

C12H21F3N2 — CID 143502750

IUPAC(1Z,3Z)-1-N',1-N'-dipropyl-2-(trifluoromethyl)penta-1,3-diene-1,1-diamine
SMILESC/C=C\C(=C(/N)N(CCC)CCC)C(F)(F)F
InChIInChI=1S/C12H21F3N2/c1-4-7-10(12(13,14)15)11(16)17(8-5-2)9-6-3/h4,7H,5-6,8-9,16H2,1-3H3/b7-4-,11-10-
InChIKeyGELHYNUZHHUMDA-ZDXSPKKTSA-N
MW250.31 g/mol
LogP3.42
Rot. Bonds6

About (1Z,3Z)-1-N',1-N'-dipropyl-2-(trifluoromethyl)penta-1,3-diene-1,1-diamine

(1Z,3Z)-1-N',1-N'-dipropyl-2-(trifluoromethyl)penta-1,3-diene-1,1-diamine (PubChem CID 143502750) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is (1Z,3Z)-1-N',1-N'-dipropyl-2-(trifluoromethyl)penta-1,3-diene-1,1-diamine.

Molecular Properties

Compound Name(1Z,3Z)-1-N',1-N'-dipropyl-2-(trifluoromethyl)penta-1,3-diene-1,1-diamine
PubChem CID143502750
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name(1Z,3Z)-1-N',1-N'-dipropyl-2-(trifluoromethyl)penta-1,3-diene-1,1-diamine
SMILESC/C=C\C(=C(/N)N(CCC)CCC)C(F)(F)F
InChIInChI=1S/C12H21F3N2/c1-4-7-10(12(13,14)15)11(16)17(8-5-2)9-6-3/h4,7H,5-6,8-9,16H2,1-3H3/b7-4-,11-10-
InChIKeyGELHYNUZHHUMDA-ZDXSPKKTSA-N
XLogP3.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.42
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

(2E)-2-[(1E)-2,3-dimethylbuta-1,3-dienyl]-1-N'-(trifluoromethyl)hexa-2,4-diene-1,1-diamine
CID 134549736
(1E,3E)-1-N'-propyl-4-(trifluoromethyl)hexa-1,3-diene-1,1-diamine
CID 162563285
ethane;N'-ethyl-N'-[(Z,2E)-2-ethylidenepent-3-enyl]methanediamine
CID 141892261
ethane;(1E,3Z,5Z)-1-N'-ethyl-2-methyl-1-N'-propylhepta-1,3,5-triene-1,1-diamine
CID 143178458
ethane;(1E,3Z)-1-N'-ethyl-4-methyl-1-N'-propylhexa-1,3-diene-1,1-diamine
CID 177982884
N'-ethyl-N'-[(Z,2E)-2-ethylidenepent-3-enyl]methanediamine
CID 141892262
(1E,3Z,5Z)-1-N'-ethyl-2-methyl-1-N'-propylhepta-1,3,5-triene-1,1-diamine
CID 143178459
(1E,3Z)-1-N'-(2-methylprop-1-enyl)-2-prop-1-en-2-yl-1-N'-propylpenta-1,3-diene-1,1-diamine
CID 176678327
(1E,3Z)-1-N'-ethyl-4-methyl-1-N'-propylhexa-1,3-diene-1,1-diamine
CID 177982885

Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-1-N',1-N'-dipropyl-2-(trifluoromethyl)penta-1,3-diene-1,1-diamine?
The IUPAC name of (1Z,3Z)-1-N',1-N'-dipropyl-2-(trifluoromethyl)penta-1,3-diene-1,1-diamine (CID 143502750) is (1Z,3Z)-1-N',1-N'-dipropyl-2-(trifluoromethyl)penta-1,3-diene-1,1-diamine.
What is the SMILES notation for (1Z,3Z)-1-N',1-N'-dipropyl-2-(trifluoromethyl)penta-1,3-diene-1,1-diamine?
The canonical SMILES for (1Z,3Z)-1-N',1-N'-dipropyl-2-(trifluoromethyl)penta-1,3-diene-1,1-diamine is C/C=C\C(=C(/N)N(CCC)CCC)C(F)(F)F.
What is the InChIKey of (1Z,3Z)-1-N',1-N'-dipropyl-2-(trifluoromethyl)penta-1,3-diene-1,1-diamine?
The InChIKey is GELHYNUZHHUMDA-ZDXSPKKTSA-N. The full InChI is InChI=1S/C12H21F3N2/c1-4-7-10(12(13,14)15)11(16)17(8-5-2)9-6-3/h4,7H,5-6,8-9,16H2,1-3H3/b7-4-,11-10-.
What are the key properties of (1Z,3Z)-1-N',1-N'-dipropyl-2-(trifluoromethyl)penta-1,3-diene-1,1-diamine?
(1Z,3Z)-1-N',1-N'-dipropyl-2-(trifluoromethyl)penta-1,3-diene-1,1-diamine has a molecular weight of 250.31 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1-N',1-N'-dipropyl-2-(trifluoromethyl)penta-1,3-diene-1,1-diamine is sourced from PubChem (CID 143502750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).