N-ethyl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]azepan-4-amine

C14H21F3N2S — CID 120844810

IUPACN-ethyl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]azepan-4-amine
SMILESCCN(Cc1ccc(C(F)(F)F)s1)C1CCCNCC1
InChIInChI=1S/C14H21F3N2S/c1-2-19(11-4-3-8-18-9-7-11)10-12-5-6-13(20-12)14(15,16)17/h5-6,11,18H,2-4,7-10H2,1H3
InChIKeyCVHHLRKSMTVZQI-UHFFFAOYSA-N
MW306.40 g/mol
LogP3.73
Rot. Bonds4

About N-ethyl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]azepan-4-amine

N-ethyl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]azepan-4-amine (PubChem CID 120844810) has the molecular formula C14H21F3N2S and a molecular weight of 306.40 g/mol. Its IUPAC name is N-ethyl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]azepan-4-amine.

Molecular Properties

Compound NameN-ethyl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]azepan-4-amine
PubChem CID120844810
Molecular FormulaC14H21F3N2S
Molecular Weight306.40 g/mol
Exact Mass306.14
IUPAC NameN-ethyl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]azepan-4-amine
SMILESCCN(Cc1ccc(C(F)(F)F)s1)C1CCCNCC1
InChIInChI=1S/C14H21F3N2S/c1-2-19(11-4-3-8-18-9-7-11)10-12-5-6-13(20-12)14(15,16)17/h5-6,11,18H,2-4,7-10H2,1H3
InChIKeyCVHHLRKSMTVZQI-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]azepan-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

Cyclohexyl-(5-methyl-thiophen-2-ylmethyl)-amine
CID 17295952
(5-((Dimethylamino)methyl)thiophen-2-yl)methanamine
CID 20098884
(2-Methylpropyl)[(5-methylthiophen-2-yl)methyl]amine
CID 4716983
2-(Azepan-1-yl)-2-(thiophen-2-yl)ethan-1-amine
CID 16461932
[(5-Methylthiophen-2-yl)methyl](propan-2-yl)amine
CID 16495108
(Propan-2-yl)(thiophen-2-ylmethyl)amine
CID 17052885
1-(Thiophen-2-ylmethyl)piperidin-4-amine
CID 17221638
2-Thiophen-2-yl-1,4,7,10-tetrazacyclododecane
CID 44453742
4-(2,2-difluoroethyl)-N-[1-(5-methylthiophen-2-yl)ethyl]-1,4-diazepane-1-carboxamide
CID 75437659
N-[(5-methylthiophen-2-yl)methyl]cyclohexanamine
CID 4722528
1-ethyl-N-(thien-2-ylmethyl)piperidin-4-amine
CID 25219570
1-(2-Thienylmethyl)-1,4-diazepane dihydrochloride
CID 47000649

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]azepan-4-amine?
The IUPAC name of N-ethyl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]azepan-4-amine (CID 120844810) is N-ethyl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]azepan-4-amine.
What is the SMILES notation for N-ethyl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]azepan-4-amine?
The canonical SMILES for N-ethyl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]azepan-4-amine is CCN(Cc1ccc(C(F)(F)F)s1)C1CCCNCC1.
What is the InChIKey of N-ethyl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]azepan-4-amine?
The InChIKey is CVHHLRKSMTVZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2S/c1-2-19(11-4-3-8-18-9-7-11)10-12-5-6-13(20-12)14(15,16)17/h5-6,11,18H,2-4,7-10H2,1H3.
What are the key properties of N-ethyl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]azepan-4-amine?
N-ethyl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]azepan-4-amine has a molecular weight of 306.40 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]azepan-4-amine is sourced from PubChem (CID 120844810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).