5-methyl-N-(thiophen-3-ylmethyl)heptan-3-amine

C13H23NS — CID 63247789

IUPAC5-methyl-N-(thiophen-3-ylmethyl)heptan-3-amine
SMILESCCC(C)CC(CC)NCc1ccsc1
InChIInChI=1S/C13H23NS/c1-4-11(3)8-13(5-2)14-9-12-6-7-15-10-12/h6-7,10-11,13-14H,4-5,8-9H2,1-3H3
InChIKeyOPVOVOFMTDEXHJ-UHFFFAOYSA-N
MW225.40 g/mol
LogP4.05
Rot. Bonds7

About 5-methyl-N-(thiophen-3-ylmethyl)heptan-3-amine

5-methyl-N-(thiophen-3-ylmethyl)heptan-3-amine (PubChem CID 63247789) has the molecular formula C13H23NS and a molecular weight of 225.40 g/mol. Its IUPAC name is 5-methyl-N-(thiophen-3-ylmethyl)heptan-3-amine.

Molecular Properties

Compound Name5-methyl-N-(thiophen-3-ylmethyl)heptan-3-amine
PubChem CID63247789
Molecular FormulaC13H23NS
Molecular Weight225.40 g/mol
Exact Mass225.16
IUPAC Name5-methyl-N-(thiophen-3-ylmethyl)heptan-3-amine
SMILESCCC(C)CC(CC)NCc1ccsc1
InChIInChI=1S/C13H23NS/c1-4-11(3)8-13(5-2)14-9-12-6-7-15-10-12/h6-7,10-11,13-14H,4-5,8-9H2,1-3H3
InChIKeyOPVOVOFMTDEXHJ-UHFFFAOYSA-N
XLogP4.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-N-(thiophen-3-ylmethyl)heptan-4-amine
CID 63248200
N-(thiophen-3-ylmethyl)heptan-3-amine
CID 63946949
2-(thiophen-3-ylmethylamino)propane-1,3-diol
CID 65312761
1-chloro-N-(thiophen-3-ylmethyl)propan-2-amine
CID 65025507
N-[(5-bromothiophen-2-yl)methyl]-5-methylheptan-3-amine
CID 63452371
5-methyl-1-thiophen-3-ylheptan-3-ol
CID 115798340
2-methyl-N-(2-thiophen-3-ylethyl)butan-1-amine
CID 61474890
(2R)-2-(thiophen-3-ylmethylamino)propanoic acid
CID 51883451
N-pentan-2-yl-2-(thiophen-3-ylmethylamino)propanamide
CID 61067971
1-thiophen-3-ylbutan-2-ylhydrazine
CID 105201099
2-ethyl-1-phenyl-N-(thiophen-3-ylmethyl)butan-1-amine
CID 43734672
5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptan-3-amine
CID 61281288

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(thiophen-3-ylmethyl)heptan-3-amine?
The IUPAC name of 5-methyl-N-(thiophen-3-ylmethyl)heptan-3-amine (CID 63247789) is 5-methyl-N-(thiophen-3-ylmethyl)heptan-3-amine.
What is the SMILES notation for 5-methyl-N-(thiophen-3-ylmethyl)heptan-3-amine?
The canonical SMILES for 5-methyl-N-(thiophen-3-ylmethyl)heptan-3-amine is CCC(C)CC(CC)NCc1ccsc1.
What is the InChIKey of 5-methyl-N-(thiophen-3-ylmethyl)heptan-3-amine?
The InChIKey is OPVOVOFMTDEXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NS/c1-4-11(3)8-13(5-2)14-9-12-6-7-15-10-12/h6-7,10-11,13-14H,4-5,8-9H2,1-3H3.
What are the key properties of 5-methyl-N-(thiophen-3-ylmethyl)heptan-3-amine?
5-methyl-N-(thiophen-3-ylmethyl)heptan-3-amine has a molecular weight of 225.40 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(thiophen-3-ylmethyl)heptan-3-amine is sourced from PubChem (CID 63247789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).