3-methylidene-1-thiophen-3-ylpentan-1-amine

C10H15NS — CID 66044101

IUPAC3-methylidene-1-thiophen-3-ylpentan-1-amine
SMILESC=C(CC)CC(N)c1ccsc1
InChIInChI=1S/C10H15NS/c1-3-8(2)6-10(11)9-4-5-12-7-9/h4-5,7,10H,2-3,6,11H2,1H3
InChIKeyPVDPSUFHFWYNTO-UHFFFAOYSA-N
MW181.30 g/mol
LogP3.10
Rot. Bonds4

About 3-methylidene-1-thiophen-3-ylpentan-1-amine

3-methylidene-1-thiophen-3-ylpentan-1-amine (PubChem CID 66044101) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 3-methylidene-1-thiophen-3-ylpentan-1-amine.

Molecular Properties

Compound Name3-methylidene-1-thiophen-3-ylpentan-1-amine
PubChem CID66044101
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name3-methylidene-1-thiophen-3-ylpentan-1-amine
SMILESC=C(CC)CC(N)c1ccsc1
InChIInChI=1S/C10H15NS/c1-3-8(2)6-10(11)9-4-5-12-7-9/h4-5,7,10H,2-3,6,11H2,1H3
InChIKeyPVDPSUFHFWYNTO-UHFFFAOYSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 53.10
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

ethyl (3S)-3-amino-3-thiophen-3-ylpropanoate
CID 29059787
(1R)-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171210593
2-methylidene-N-(1-thiophen-3-ylethyl)butan-1-amine
CID 66046894
methyl (3R)-3-amino-3-thiophen-3-ylpropanoate;hydrochloride
CID 171249952
(1R)-3-ethyl-1-thiophen-3-ylpentan-1-amine
CID 99621448
1-(3,4-dimethylphenyl)-3-methylidenepentan-1-amine
CID 105005776
prop-2-enyl 3-amino-3-thiophen-3-ylpropanoate
CID 118184249
(3R)-3-amino-3-thiophen-3-ylpropan-1-ol
CID 1487793
3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 105005965
1-thiophen-3-ylhexan-1-amine;hydrochloride
CID 86262846
(1S,2R)-1-amino-1-thiophen-3-ylbutan-2-ol
CID 130683153
1-(3,4-dimethoxyphenyl)-3-methylidenepentan-1-amine
CID 66046502

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-thiophen-3-ylpentan-1-amine?
The IUPAC name of 3-methylidene-1-thiophen-3-ylpentan-1-amine (CID 66044101) is 3-methylidene-1-thiophen-3-ylpentan-1-amine.
What is the SMILES notation for 3-methylidene-1-thiophen-3-ylpentan-1-amine?
The canonical SMILES for 3-methylidene-1-thiophen-3-ylpentan-1-amine is C=C(CC)CC(N)c1ccsc1.
What is the InChIKey of 3-methylidene-1-thiophen-3-ylpentan-1-amine?
The InChIKey is PVDPSUFHFWYNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-3-8(2)6-10(11)9-4-5-12-7-9/h4-5,7,10H,2-3,6,11H2,1H3.
What are the key properties of 3-methylidene-1-thiophen-3-ylpentan-1-amine?
3-methylidene-1-thiophen-3-ylpentan-1-amine has a molecular weight of 181.30 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-thiophen-3-ylpentan-1-amine is sourced from PubChem (CID 66044101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).