1-N,1-N,2-N-trimethyl-2-N-[2-(1,1,1-trifluoropropan-2-yl)penta-2,4-dienyl]propane-1,2-diamine

C14H25F3N2 — CID 123953279

IUPAC1-N,1-N,2-N-trimethyl-2-N-[2-(1,1,1-trifluoropropan-2-yl)penta-2,4-dienyl]propane-1,2-diamine
SMILESC=CC=C(CN(C)C(C)CN(C)C)C(C)C(F)(F)F
InChIInChI=1S/C14H25F3N2/c1-7-8-13(12(3)14(15,16)17)10-19(6)11(2)9-18(4)5/h7-8,11-12H,1,9-10H2,2-6H3
InChIKeyRCVZRESXBIBNDM-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.18
Rot. Bonds7

About 1-N,1-N,2-N-trimethyl-2-N-[2-(1,1,1-trifluoropropan-2-yl)penta-2,4-dienyl]propane-1,2-diamine

1-N,1-N,2-N-trimethyl-2-N-[2-(1,1,1-trifluoropropan-2-yl)penta-2,4-dienyl]propane-1,2-diamine (PubChem CID 123953279) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-N,1-N,2-N-trimethyl-2-N-[2-(1,1,1-trifluoropropan-2-yl)penta-2,4-dienyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,2-N-trimethyl-2-N-[2-(1,1,1-trifluoropropan-2-yl)penta-2,4-dienyl]propane-1,2-diamine
PubChem CID123953279
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Name1-N,1-N,2-N-trimethyl-2-N-[2-(1,1,1-trifluoropropan-2-yl)penta-2,4-dienyl]propane-1,2-diamine
SMILESC=CC=C(CN(C)C(C)CN(C)C)C(C)C(F)(F)F
InChIInChI=1S/C14H25F3N2/c1-7-8-13(12(3)14(15,16)17)10-19(6)11(2)9-18(4)5/h7-8,11-12H,1,9-10H2,2-6H3
InChIKeyRCVZRESXBIBNDM-UHFFFAOYSA-N
XLogP3.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
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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1-Methyl-4-[2-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dienyl]piperazine
CID 124021711
N',N'-diethyl-N-methyl-N-[(3Z,5Z)-5-methyl-7-(trifluoromethyl)octa-3,5,7-trienyl]ethane-1,2-diamine
CID 138564568
N'-[3-(1,1-difluoroethyl)-2-fluorocyclohexa-2,4-dien-1-yl]-N,N'-dimethyl-N-propylethane-1,2-diamine
CID 143150992
ethane;(3Z)-N-methyl-N-(3-methylbutyl)-5-(trifluoromethyl)hexa-1,3,5-trien-2-amine
CID 144589102
(2E,4E)-6,6-difluoro-N,2,5-trimethyl-N-propan-2-ylhepta-2,4-dien-1-amine;ethane
CID 145011954
(3R,4S)-1-[(2E,3E)-2-butan-2-ylidene-3-fluorohexa-3,5-dienyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 166885636
1-Methyl-4-[[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperazine
CID 170025811
3-methyl-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-amine
CID 114490217
3-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 114490712
(3Z)-N-methyl-N-(3-methylbutyl)-5-(trifluoromethyl)hexa-1,3,5-trien-2-amine
CID 144589103

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N-trimethyl-2-N-[2-(1,1,1-trifluoropropan-2-yl)penta-2,4-dienyl]propane-1,2-diamine?
The IUPAC name of 1-N,1-N,2-N-trimethyl-2-N-[2-(1,1,1-trifluoropropan-2-yl)penta-2,4-dienyl]propane-1,2-diamine (CID 123953279) is 1-N,1-N,2-N-trimethyl-2-N-[2-(1,1,1-trifluoropropan-2-yl)penta-2,4-dienyl]propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,2-N-trimethyl-2-N-[2-(1,1,1-trifluoropropan-2-yl)penta-2,4-dienyl]propane-1,2-diamine?
The canonical SMILES for 1-N,1-N,2-N-trimethyl-2-N-[2-(1,1,1-trifluoropropan-2-yl)penta-2,4-dienyl]propane-1,2-diamine is C=CC=C(CN(C)C(C)CN(C)C)C(C)C(F)(F)F.
What is the InChIKey of 1-N,1-N,2-N-trimethyl-2-N-[2-(1,1,1-trifluoropropan-2-yl)penta-2,4-dienyl]propane-1,2-diamine?
The InChIKey is RCVZRESXBIBNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-7-8-13(12(3)14(15,16)17)10-19(6)11(2)9-18(4)5/h7-8,11-12H,1,9-10H2,2-6H3.
What are the key properties of 1-N,1-N,2-N-trimethyl-2-N-[2-(1,1,1-trifluoropropan-2-yl)penta-2,4-dienyl]propane-1,2-diamine?
1-N,1-N,2-N-trimethyl-2-N-[2-(1,1,1-trifluoropropan-2-yl)penta-2,4-dienyl]propane-1,2-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N-trimethyl-2-N-[2-(1,1,1-trifluoropropan-2-yl)penta-2,4-dienyl]propane-1,2-diamine is sourced from PubChem (CID 123953279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).