7-methyl-6-methylidene-N-propyl-3-(trifluoromethyl)azepin-4-amine

C12H15F3N2 — CID 118494002

IUPAC7-methyl-6-methylidene-N-propyl-3-(trifluoromethyl)azepin-4-amine
SMILESC=C1C=C(NCCC)C(C(F)(F)F)=CN=C1C
InChIInChI=1S/C12H15F3N2/c1-4-5-16-11-6-8(2)9(3)17-7-10(11)12(13,14)15/h6-7,16H,2,4-5H2,1,3H3
InChIKeyRRXVAGNIDQIRHB-UHFFFAOYSA-N
MW244.26 g/mol
LogP3.35
Rot. Bonds3

About 7-methyl-6-methylidene-N-propyl-3-(trifluoromethyl)azepin-4-amine

7-methyl-6-methylidene-N-propyl-3-(trifluoromethyl)azepin-4-amine (PubChem CID 118494002) has the molecular formula C12H15F3N2 and a molecular weight of 244.26 g/mol. Its IUPAC name is 7-methyl-6-methylidene-N-propyl-3-(trifluoromethyl)azepin-4-amine.

Molecular Properties

Compound Name7-methyl-6-methylidene-N-propyl-3-(trifluoromethyl)azepin-4-amine
PubChem CID118494002
Molecular FormulaC12H15F3N2
Molecular Weight244.26 g/mol
Exact Mass244.12
IUPAC Name7-methyl-6-methylidene-N-propyl-3-(trifluoromethyl)azepin-4-amine
SMILESC=C1C=C(NCCC)C(C(F)(F)F)=CN=C1C
InChIInChI=1S/C12H15F3N2/c1-4-5-16-11-6-8(2)9(3)17-7-10(11)12(13,14)15/h6-7,16H,2,4-5H2,1,3H3
InChIKeyRRXVAGNIDQIRHB-UHFFFAOYSA-N
XLogP3.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-methyl-6-methylidene-N-propyl-3-(trifluoromethyl)azepin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-methyl-3-methylidene-6-(trifluoromethyl)azepine-2,5-diamine
CID 90126468
3-methylidene-5-N-propan-2-yl-6-(trifluoromethyl)azepine-2,5-diamine
CID 90137030
3-methylidene-5-N-propyl-6-(trifluoromethyl)azepine-2,5-diamine
CID 90137034
(2E)-N-[(4E)-5-[[(3E)-3,5-dimethylhexa-3,5-dien-2-ylidene]amino]-4-methylpenta-1,4-dien-2-yl]-2-ethenyl-4-fluoropenta-2,4-dien-1-amine
CID 137465231
(2E)-2-ethenyl-4-fluoro-N-[(4E)-4-methyl-5-[[(E)-3-methylpent-3-en-2-ylidene]amino]penta-1,4-dien-2-yl]penta-2,4-dien-1-amine
CID 137465238
(4E,6E)-N-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]-4,7-dimethyl-8-methyliminonona-1,4,6-trien-2-amine
CID 137465240
6,7-Difluoro-2-methyl-1,8a-dihydroquinoxaline
CID 154554858
difluoromethane;(E)-4-[[(E)-2-methyl-3-(propylideneamino)-1-[4-(trifluoromethyl)benzene-6-id-1-yl]prop-2-enylidene]amino]-N-propylbut-2-en-2-amine;uranium(2+)
CID 167492539
(E)-N-[(1E,3E)-1-(3,3-difluorobutan-2-ylideneamino)hepta-1,3-dien-2-yl]-2-[(Z)-prop-1-enyl]imino-3-propylhex-3-en-1-amine
CID 169205430
(1E,3E)-1-(ethylideneamino)-2-methyl-N-(2,2,2-trifluoroethyl)hexa-1,3-dien-3-amine
CID 173699246
(4E)-3-(4-fluorocyclobuta-1,3-dien-1-yl)imino-N',2,5-trimethylhepta-1,4-diene-1,7-diamine
CID 174027021
(4E)-2-N-[[7-(1,1-difluoroethyl)-1-azacyclohepta-2,4,5,7-tetraen-4-yl]methyl]-4-ethyl-6-methyl-3-methylidene-7-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]octa-1,4,7-triene-2,7-diamine
CID 143344415

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-methylidene-N-propyl-3-(trifluoromethyl)azepin-4-amine?
The IUPAC name of 7-methyl-6-methylidene-N-propyl-3-(trifluoromethyl)azepin-4-amine (CID 118494002) is 7-methyl-6-methylidene-N-propyl-3-(trifluoromethyl)azepin-4-amine.
What is the SMILES notation for 7-methyl-6-methylidene-N-propyl-3-(trifluoromethyl)azepin-4-amine?
The canonical SMILES for 7-methyl-6-methylidene-N-propyl-3-(trifluoromethyl)azepin-4-amine is C=C1C=C(NCCC)C(C(F)(F)F)=CN=C1C.
What is the InChIKey of 7-methyl-6-methylidene-N-propyl-3-(trifluoromethyl)azepin-4-amine?
The InChIKey is RRXVAGNIDQIRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2/c1-4-5-16-11-6-8(2)9(3)17-7-10(11)12(13,14)15/h6-7,16H,2,4-5H2,1,3H3.
What are the key properties of 7-methyl-6-methylidene-N-propyl-3-(trifluoromethyl)azepin-4-amine?
7-methyl-6-methylidene-N-propyl-3-(trifluoromethyl)azepin-4-amine has a molecular weight of 244.26 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-methylidene-N-propyl-3-(trifluoromethyl)azepin-4-amine is sourced from PubChem (CID 118494002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).