[5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methanamine

C13H22N2S — CID 107556962

IUPAC[5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methanamine
SMILESCC1CCCCCN1Cc1ccc(CN)s1
InChIInChI=1S/C13H22N2S/c1-11-5-3-2-4-8-15(11)10-13-7-6-12(9-14)16-13/h6-7,11H,2-5,8-10,14H2,1H3
InChIKeyJIDAKBJHFNUAFN-UHFFFAOYSA-N
MW238.40 g/mol
LogP2.97
Rot. Bonds3

About [5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methanamine

[5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methanamine (PubChem CID 107556962) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is [5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methanamine
PubChem CID107556962
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC Name[5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methanamine
SMILESCC1CCCCCN1Cc1ccc(CN)s1
InChIInChI=1S/C13H22N2S/c1-11-5-3-2-4-8-15(11)10-13-7-6-12(9-14)16-13/h6-7,11H,2-5,8-10,14H2,1H3
InChIKeyJIDAKBJHFNUAFN-UHFFFAOYSA-N
XLogP2.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107556963
[5-[(3-methylpiperidin-1-yl)methyl]thiophen-2-yl]methanamine
CID 107555522
2-methyl-1-[1-[[5-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]azetidin-3-yl]piperidine
CID 91833528
1-(furan-3-ylmethyl)-2-methylpiperidine
CID 131067183
[4-[(2-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888634
2-chloro-4-[(2-methylazepan-1-yl)methyl]-1,3-thiazole
CID 130552539
[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)thiophen-2-yl]methanamine
CID 107556033
1-[(4-iodophenyl)methyl]-2-methylpiperidine
CID 65477935
[2-[2-(2-methylazepan-1-yl)ethyl]phenyl]methanamine
CID 81321986
5-[(2-methylazepan-1-yl)methyl]pyrazin-2-amine
CID 103056511
3-[5-[(2-ethylazepan-1-yl)methyl]thiophen-2-yl]prop-2-yn-1-amine
CID 104691406
4-[[(2R)-2-methylpiperidin-1-yl]methyl]benzenethiol
CID 97294059

Frequently Asked Questions

What is the IUPAC name of [5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methanamine?
The IUPAC name of [5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methanamine (CID 107556962) is [5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methanamine.
What is the SMILES notation for [5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methanamine?
The canonical SMILES for [5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methanamine is CC1CCCCCN1Cc1ccc(CN)s1.
What is the InChIKey of [5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methanamine?
The InChIKey is JIDAKBJHFNUAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c1-11-5-3-2-4-8-15(11)10-13-7-6-12(9-14)16-13/h6-7,11H,2-5,8-10,14H2,1H3.
What are the key properties of [5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methanamine?
[5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methanamine has a molecular weight of 238.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-methylazepan-1-yl)methyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 107556962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).