(4E)-7-(fluoromethyl)-4-(1-iminopropan-2-ylidene)-5-methylcyclohept-2-en-1-amine

C12H19FN2 — CID 143524867

IUPAC(4E)-7-(fluoromethyl)-4-(1-iminopropan-2-ylidene)-5-methylcyclohept-2-en-1-amine
SMILES[H]/N=C/C(C)=C1/C=CC(N)C(CF)CC1C
InChIInChI=1S/C12H19FN2/c1-8-5-10(6-13)12(15)4-3-11(8)9(2)7-14/h3-4,7-8,10,12,14H,5-6,15H2,1-2H3/b11-9-,14-7+
InChIKeyBPPREWANSIXEEA-WEAPMHCESA-N
MW210.30 g/mol
LogP2.46
Rot. Bonds2

About (4E)-7-(fluoromethyl)-4-(1-iminopropan-2-ylidene)-5-methylcyclohept-2-en-1-amine

(4E)-7-(fluoromethyl)-4-(1-iminopropan-2-ylidene)-5-methylcyclohept-2-en-1-amine (PubChem CID 143524867) has the molecular formula C12H19FN2 and a molecular weight of 210.30 g/mol. Its IUPAC name is (4E)-7-(fluoromethyl)-4-(1-iminopropan-2-ylidene)-5-methylcyclohept-2-en-1-amine.

Molecular Properties

Compound Name(4E)-7-(fluoromethyl)-4-(1-iminopropan-2-ylidene)-5-methylcyclohept-2-en-1-amine
PubChem CID143524867
Molecular FormulaC12H19FN2
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Name(4E)-7-(fluoromethyl)-4-(1-iminopropan-2-ylidene)-5-methylcyclohept-2-en-1-amine
SMILES[H]/N=C/C(C)=C1/C=CC(N)C(CF)CC1C
InChIInChI=1S/C12H19FN2/c1-8-5-10(6-13)12(15)4-3-11(8)9(2)7-14/h3-4,7-8,10,12,14H,5-6,15H2,1-2H3/b11-9-,14-7+
InChIKeyBPPREWANSIXEEA-WEAPMHCESA-N
XLogP2.46
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-3-[4-(2H-pyrrol-4-yl)cyclohexa-1,5-dien-1-yl]pentan-2-amine
CID 134316595
(4E,6E,8E)-6-ethanimidoyl-4-fluoro-11-methyl-3-propyldodeca-4,6,8,10-tetraen-2-amine
CID 167083150
2-Imino-1-(6-methylcyclohexa-1,3-dien-1-yl)ethanamine
CID 89153800
(5Z,6Z)-5-butan-2-ylidene-3-methanimidoyl-8-methylnona-6,8-dien-2-amine
CID 174246586
(5Z)-5-methanimidoyl-4-methylocta-5,7-dien-1-amine
CID 176964311

Frequently Asked Questions

What is the IUPAC name of (4E)-7-(fluoromethyl)-4-(1-iminopropan-2-ylidene)-5-methylcyclohept-2-en-1-amine?
The IUPAC name of (4E)-7-(fluoromethyl)-4-(1-iminopropan-2-ylidene)-5-methylcyclohept-2-en-1-amine (CID 143524867) is (4E)-7-(fluoromethyl)-4-(1-iminopropan-2-ylidene)-5-methylcyclohept-2-en-1-amine.
What is the SMILES notation for (4E)-7-(fluoromethyl)-4-(1-iminopropan-2-ylidene)-5-methylcyclohept-2-en-1-amine?
The canonical SMILES for (4E)-7-(fluoromethyl)-4-(1-iminopropan-2-ylidene)-5-methylcyclohept-2-en-1-amine is [H]/N=C/C(C)=C1/C=CC(N)C(CF)CC1C.
What is the InChIKey of (4E)-7-(fluoromethyl)-4-(1-iminopropan-2-ylidene)-5-methylcyclohept-2-en-1-amine?
The InChIKey is BPPREWANSIXEEA-WEAPMHCESA-N. The full InChI is InChI=1S/C12H19FN2/c1-8-5-10(6-13)12(15)4-3-11(8)9(2)7-14/h3-4,7-8,10,12,14H,5-6,15H2,1-2H3/b11-9-,14-7+.
What are the key properties of (4E)-7-(fluoromethyl)-4-(1-iminopropan-2-ylidene)-5-methylcyclohept-2-en-1-amine?
(4E)-7-(fluoromethyl)-4-(1-iminopropan-2-ylidene)-5-methylcyclohept-2-en-1-amine has a molecular weight of 210.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-7-(fluoromethyl)-4-(1-iminopropan-2-ylidene)-5-methylcyclohept-2-en-1-amine is sourced from PubChem (CID 143524867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).