N'-ethyl-N-methyl-N'-[(3Z)-7,7,7-trifluoro-6-methylhepta-1,3-dien-2-yl]ethane-1,2-diamine

C13H23F3N2 — CID 163967516

IUPACN'-ethyl-N-methyl-N'-[(3Z)-7,7,7-trifluoro-6-methylhepta-1,3-dien-2-yl]ethane-1,2-diamine
SMILESC=C(/C=C\CC(C)C(F)(F)F)N(CC)CCNC
InChIInChI=1S/C13H23F3N2/c1-5-18(10-9-17-4)12(3)8-6-7-11(2)13(14,15)16/h6,8,11,17H,3,5,7,9-10H2,1-2,4H3/b8-6-
InChIKeySNBYAICCNIMJSK-VURMDHGXSA-N
MW264.33 g/mol
LogP3.19
Rot. Bonds8

About N'-ethyl-N-methyl-N'-[(3Z)-7,7,7-trifluoro-6-methylhepta-1,3-dien-2-yl]ethane-1,2-diamine

N'-ethyl-N-methyl-N'-[(3Z)-7,7,7-trifluoro-6-methylhepta-1,3-dien-2-yl]ethane-1,2-diamine (PubChem CID 163967516) has the molecular formula C13H23F3N2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N'-ethyl-N-methyl-N'-[(3Z)-7,7,7-trifluoro-6-methylhepta-1,3-dien-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-methyl-N'-[(3Z)-7,7,7-trifluoro-6-methylhepta-1,3-dien-2-yl]ethane-1,2-diamine
PubChem CID163967516
Molecular FormulaC13H23F3N2
Molecular Weight264.33 g/mol
Exact Mass264.18
IUPAC NameN'-ethyl-N-methyl-N'-[(3Z)-7,7,7-trifluoro-6-methylhepta-1,3-dien-2-yl]ethane-1,2-diamine
SMILESC=C(/C=C\CC(C)C(F)(F)F)N(CC)CCNC
InChIInChI=1S/C13H23F3N2/c1-5-18(10-9-17-4)12(3)8-6-7-11(2)13(14,15)16/h6,8,11,17H,3,5,7,9-10H2,1-2,4H3/b8-6-
InChIKeySNBYAICCNIMJSK-VURMDHGXSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-methyl-N'-[(3Z)-7,7,7-trifluoro-6-methylhepta-1,3-dien-2-yl]ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-methyl-N'-[(3Z)-7,7,7-trifluoro-6-methylhepta-1,3-dien-2-yl]ethane-1,2-diamine (CID 163967516) is N'-ethyl-N-methyl-N'-[(3Z)-7,7,7-trifluoro-6-methylhepta-1,3-dien-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-methyl-N'-[(3Z)-7,7,7-trifluoro-6-methylhepta-1,3-dien-2-yl]ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-methyl-N'-[(3Z)-7,7,7-trifluoro-6-methylhepta-1,3-dien-2-yl]ethane-1,2-diamine is C=C(/C=C\CC(C)C(F)(F)F)N(CC)CCNC.
What is the InChIKey of N'-ethyl-N-methyl-N'-[(3Z)-7,7,7-trifluoro-6-methylhepta-1,3-dien-2-yl]ethane-1,2-diamine?
The InChIKey is SNBYAICCNIMJSK-VURMDHGXSA-N. The full InChI is InChI=1S/C13H23F3N2/c1-5-18(10-9-17-4)12(3)8-6-7-11(2)13(14,15)16/h6,8,11,17H,3,5,7,9-10H2,1-2,4H3/b8-6-.
What are the key properties of N'-ethyl-N-methyl-N'-[(3Z)-7,7,7-trifluoro-6-methylhepta-1,3-dien-2-yl]ethane-1,2-diamine?
N'-ethyl-N-methyl-N'-[(3Z)-7,7,7-trifluoro-6-methylhepta-1,3-dien-2-yl]ethane-1,2-diamine has a molecular weight of 264.33 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-methyl-N'-[(3Z)-7,7,7-trifluoro-6-methylhepta-1,3-dien-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 163967516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).