(Z)-4-ethylimino-1,1,1-trifluoro-N-propan-2-ylhept-5-en-2-amine

C12H21F3N2 — CID 166470501

IUPAC(Z)-4-ethylimino-1,1,1-trifluoro-N-propan-2-ylhept-5-en-2-amine
SMILESC/C=C\C(CC(NC(C)C)C(F)(F)F)=N/CC
InChIInChI=1S/C12H21F3N2/c1-5-7-10(16-6-2)8-11(12(13,14)15)17-9(3)4/h5,7,9,11,17H,6,8H2,1-4H3/b7-5-,16-10+
InChIKeySNXAGZDPDNYAGV-NUNJDRMESA-N
MW250.31 g/mol
LogP3.34
Rot. Bonds6

About (Z)-4-ethylimino-1,1,1-trifluoro-N-propan-2-ylhept-5-en-2-amine

(Z)-4-ethylimino-1,1,1-trifluoro-N-propan-2-ylhept-5-en-2-amine (PubChem CID 166470501) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is (Z)-4-ethylimino-1,1,1-trifluoro-N-propan-2-ylhept-5-en-2-amine.

Molecular Properties

Compound Name(Z)-4-ethylimino-1,1,1-trifluoro-N-propan-2-ylhept-5-en-2-amine
PubChem CID166470501
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name(Z)-4-ethylimino-1,1,1-trifluoro-N-propan-2-ylhept-5-en-2-amine
SMILESC/C=C\C(CC(NC(C)C)C(F)(F)F)=N/CC
InChIInChI=1S/C12H21F3N2/c1-5-7-10(16-6-2)8-11(12(13,14)15)17-9(3)4/h5,7,9,11,17H,6,8H2,1-4H3/b7-5-,16-10+
InChIKeySNXAGZDPDNYAGV-NUNJDRMESA-N
XLogP3.34
TPSA24.39 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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-N-methyl-3-N-[[[(Z)-8,8,8-trifluorooct-5-en-4-ylidene]amino]methoxymethyl]pentane-1,3-diamine
CID 123362555
N-[(E)-3-(1,1,1-trifluorobut-3-en-2-ylideneamino)pent-2-en-2-yl]cyclopentanamine
CID 155471401
(Z)-1,7-difluoro-N-propyl-5-propyliminohept-3-en-3-amine
CID 156290789
(Z)-4-ethylimino-1,1,1-trifluoro-N-propan-2-ylhept-5-en-2-amine;molecular hydrogen
CID 166470500
(Z)-4-ethylimino-1,1,1-trifluoro-N-methylhept-5-en-2-amine;molecular hydrogen
CID 166470688
(Z)-1,1,1-trifluoro-4-methylimino-N-propan-2-yloct-5-en-2-amine
CID 166470873
(E)-2-ethylimino-3,3-difluoro-N-methylhex-4-en-1-amine
CID 166942579
(Z)-4-ethylimino-1,1,1-trifluoro-N-methylhept-5-en-2-amine
CID 166470689
1-(2,3-dihydropyridin-6-yl)-N-methylpropan-1-amine
CID 123364560
N-[(2-methyl-2,3-dihydropyridin-6-yl)methyl]ethanamine
CID 132235563
(Z)-N-ethyl-3-ethyliminohex-4-en-1-amine
CID 142887633
(5Z)-N-ethyl-4-methyliminoocta-5,7-dien-3-amine
CID 144083179

Frequently Asked Questions

What is the IUPAC name of (Z)-4-ethylimino-1,1,1-trifluoro-N-propan-2-ylhept-5-en-2-amine?
The IUPAC name of (Z)-4-ethylimino-1,1,1-trifluoro-N-propan-2-ylhept-5-en-2-amine (CID 166470501) is (Z)-4-ethylimino-1,1,1-trifluoro-N-propan-2-ylhept-5-en-2-amine.
What is the SMILES notation for (Z)-4-ethylimino-1,1,1-trifluoro-N-propan-2-ylhept-5-en-2-amine?
The canonical SMILES for (Z)-4-ethylimino-1,1,1-trifluoro-N-propan-2-ylhept-5-en-2-amine is C/C=C\C(CC(NC(C)C)C(F)(F)F)=N/CC.
What is the InChIKey of (Z)-4-ethylimino-1,1,1-trifluoro-N-propan-2-ylhept-5-en-2-amine?
The InChIKey is SNXAGZDPDNYAGV-NUNJDRMESA-N. The full InChI is InChI=1S/C12H21F3N2/c1-5-7-10(16-6-2)8-11(12(13,14)15)17-9(3)4/h5,7,9,11,17H,6,8H2,1-4H3/b7-5-,16-10+.
What are the key properties of (Z)-4-ethylimino-1,1,1-trifluoro-N-propan-2-ylhept-5-en-2-amine?
(Z)-4-ethylimino-1,1,1-trifluoro-N-propan-2-ylhept-5-en-2-amine has a molecular weight of 250.31 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethylimino-1,1,1-trifluoro-N-propan-2-ylhept-5-en-2-amine is sourced from PubChem (CID 166470501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).