1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)azepan-4-amine

C15H26N2S — CID 80526251

IUPAC1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)azepan-4-amine
SMILESCN1CCCC(NCC(C)(C)c2cccs2)CC1
InChIInChI=1S/C15H26N2S/c1-15(2,14-7-5-11-18-14)12-16-13-6-4-9-17(3)10-8-13/h5,7,11,13,16H,4,6,8-10,12H2,1-3H3
InChIKeyDDVXFPOVQXFWRQ-UHFFFAOYSA-N
MW266.45 g/mol
LogP3.10
Rot. Bonds4

About 1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)azepan-4-amine

1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)azepan-4-amine (PubChem CID 80526251) has the molecular formula C15H26N2S and a molecular weight of 266.45 g/mol. Its IUPAC name is 1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)azepan-4-amine.

Molecular Properties

Compound Name1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)azepan-4-amine
PubChem CID80526251
Molecular FormulaC15H26N2S
Molecular Weight266.45 g/mol
Exact Mass266.18
IUPAC Name1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)azepan-4-amine
SMILESCN1CCCC(NCC(C)(C)c2cccs2)CC1
InChIInChI=1S/C15H26N2S/c1-15(2,14-7-5-11-18-14)12-16-13-6-4-9-17(3)10-8-13/h5,7,11,13,16H,4,6,8-10,12H2,1-3H3
InChIKeyDDVXFPOVQXFWRQ-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
CID 81344411
N-(2-methyl-2-thiophen-2-ylpropyl)spiro[4.5]decan-8-amine
CID 114817785
N-(2-methyl-2-thiophen-2-ylpropyl)piperidin-4-amine
CID 80526034
3-methoxy-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80527427
N-(2-methyl-2-thiophen-2-ylpropyl)-1-oxothian-4-amine
CID 80526167
4-(2-methylbutan-2-yl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80526485
3-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 104859799
N-(2-methyl-2-thiophen-2-ylpropyl)-1,1-dioxothiolan-3-amine
CID 80526202
3-(2-methylpropyl)-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 107428609
3,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclopentan-1-amine
CID 80706060
2,3-dimethyl-N-(2-methyl-2-thiophen-2-ylpropyl)cyclohexan-1-amine
CID 80526151
N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 65071295

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)azepan-4-amine?
The IUPAC name of 1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)azepan-4-amine (CID 80526251) is 1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)azepan-4-amine.
What is the SMILES notation for 1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)azepan-4-amine?
The canonical SMILES for 1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)azepan-4-amine is CN1CCCC(NCC(C)(C)c2cccs2)CC1.
What is the InChIKey of 1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)azepan-4-amine?
The InChIKey is DDVXFPOVQXFWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2S/c1-15(2,14-7-5-11-18-14)12-16-13-6-4-9-17(3)10-8-13/h5,7,11,13,16H,4,6,8-10,12H2,1-3H3.
What are the key properties of 1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)azepan-4-amine?
1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)azepan-4-amine has a molecular weight of 266.45 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)azepan-4-amine is sourced from PubChem (CID 80526251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).