3-methylidene-N-propyl-1-thiophen-2-ylpentan-1-amine

C13H21NS — CID 66046737

IUPAC3-methylidene-N-propyl-1-thiophen-2-ylpentan-1-amine
SMILESC=C(CC)CC(NCCC)c1cccs1
InChIInChI=1S/C13H21NS/c1-4-8-14-12(10-11(3)5-2)13-7-6-9-15-13/h6-7,9,12,14H,3-5,8,10H2,1-2H3
InChIKeyNUROTHNKMMGSAC-UHFFFAOYSA-N
MW223.38 g/mol
LogP4.15
Rot. Bonds7

About 3-methylidene-N-propyl-1-thiophen-2-ylpentan-1-amine

3-methylidene-N-propyl-1-thiophen-2-ylpentan-1-amine (PubChem CID 66046737) has the molecular formula C13H21NS and a molecular weight of 223.38 g/mol. Its IUPAC name is 3-methylidene-N-propyl-1-thiophen-2-ylpentan-1-amine.

Molecular Properties

Compound Name3-methylidene-N-propyl-1-thiophen-2-ylpentan-1-amine
PubChem CID66046737
Molecular FormulaC13H21NS
Molecular Weight223.38 g/mol
Exact Mass223.14
IUPAC Name3-methylidene-N-propyl-1-thiophen-2-ylpentan-1-amine
SMILESC=C(CC)CC(NCCC)c1cccs1
InChIInChI=1S/C13H21NS/c1-4-8-14-12(10-11(3)5-2)13-7-6-9-15-13/h6-7,9,12,14H,3-5,8,10H2,1-2H3
InChIKeyNUROTHNKMMGSAC-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.38
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-propyl-1-thiophen-2-ylpent-4-yn-1-amine
CID 63657512
3-(butylamino)-3-thiophen-2-ylpropanoic acid
CID 43727779
3-phenyl-N-propyl-1-thiophen-2-ylpropan-1-amine
CID 43495958
1-(furan-3-yl)-3-methylidene-N-propylpentan-1-amine
CID 66039717
3-methylidene-1-(4-methylsulfanylphenyl)-N-propylpentan-1-amine
CID 105005861
3-ethyl-N-propyl-1-thiophen-2-ylheptan-1-amine
CID 63414646
N-[2-(3-bromothiophen-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 62608324
N-[2-(2-chlorophenyl)-1-thiophen-2-ylethyl]propan-1-amine
CID 43495939
N-(2,2-difluoro-1-thiophen-2-ylethyl)propan-1-amine
CID 103759718
N-(2-fluoroethyl)-1-thiophen-2-ylbutan-1-amine
CID 80695322
1-[4-(difluoromethoxy)phenyl]-3-methylidene-N-propylpentan-1-amine
CID 105005864
N-[2-(4-methyl-1,3-thiazol-2-yl)-1-thiophen-2-ylethyl]propan-1-amine
CID 62796371

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-N-propyl-1-thiophen-2-ylpentan-1-amine?
The IUPAC name of 3-methylidene-N-propyl-1-thiophen-2-ylpentan-1-amine (CID 66046737) is 3-methylidene-N-propyl-1-thiophen-2-ylpentan-1-amine.
What is the SMILES notation for 3-methylidene-N-propyl-1-thiophen-2-ylpentan-1-amine?
The canonical SMILES for 3-methylidene-N-propyl-1-thiophen-2-ylpentan-1-amine is C=C(CC)CC(NCCC)c1cccs1.
What is the InChIKey of 3-methylidene-N-propyl-1-thiophen-2-ylpentan-1-amine?
The InChIKey is NUROTHNKMMGSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-4-8-14-12(10-11(3)5-2)13-7-6-9-15-13/h6-7,9,12,14H,3-5,8,10H2,1-2H3.
What are the key properties of 3-methylidene-N-propyl-1-thiophen-2-ylpentan-1-amine?
3-methylidene-N-propyl-1-thiophen-2-ylpentan-1-amine has a molecular weight of 223.38 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-N-propyl-1-thiophen-2-ylpentan-1-amine is sourced from PubChem (CID 66046737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).