4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)oxepan-4-amine

C14H24N2OS — CID 65079163

IUPAC4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)oxepan-4-amine
SMILESCC(c1cccs1)N(C)C1(CN)CCCOCC1
InChIInChI=1S/C14H24N2OS/c1-12(13-5-3-10-18-13)16(2)14(11-15)6-4-8-17-9-7-14/h3,5,10,12H,4,6-9,11,15H2,1-2H3
InChIKeyFXQHPQYUHKOQEN-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.64
Rot. Bonds4

About 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)oxepan-4-amine

4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)oxepan-4-amine (PubChem CID 65079163) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)oxepan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)oxepan-4-amine
PubChem CID65079163
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)oxepan-4-amine
SMILESCC(c1cccs1)N(C)C1(CN)CCCOCC1
InChIInChI=1S/C14H24N2OS/c1-12(13-5-3-10-18-13)16(2)14(11-15)6-4-8-17-9-7-14/h3,5,10,12H,4,6-9,11,15H2,1-2H3
InChIKeyFXQHPQYUHKOQEN-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)oxepan-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

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)oxepan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)oxepan-4-amine (CID 65079163) is 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)oxepan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)oxepan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)oxepan-4-amine is CC(c1cccs1)N(C)C1(CN)CCCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)oxepan-4-amine?
The InChIKey is FXQHPQYUHKOQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-12(13-5-3-10-18-13)16(2)14(11-15)6-4-8-17-9-7-14/h3,5,10,12H,4,6-9,11,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)oxepan-4-amine?
4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)oxepan-4-amine has a molecular weight of 268.43 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(1-thiophen-2-ylethyl)oxepan-4-amine is sourced from PubChem (CID 65079163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).