4-methyl-N-propyl-1-thiophen-3-ylpent-3-en-2-amine

C13H21NS — CID 105163342

IUPAC4-methyl-N-propyl-1-thiophen-3-ylpent-3-en-2-amine
SMILESCCCNC(C=C(C)C)Cc1ccsc1
InChIInChI=1S/C13H21NS/c1-4-6-14-13(8-11(2)3)9-12-5-7-15-10-12/h5,7-8,10,13-14H,4,6,9H2,1-3H3
InChIKeyNGCMGPRFGAEZGW-UHFFFAOYSA-N
MW223.39 g/mol
LogP3.62
Rot. Bonds6

About 4-methyl-N-propyl-1-thiophen-3-ylpent-3-en-2-amine

4-methyl-N-propyl-1-thiophen-3-ylpent-3-en-2-amine (PubChem CID 105163342) has the molecular formula C13H21NS and a molecular weight of 223.39 g/mol. Its IUPAC name is 4-methyl-N-propyl-1-thiophen-3-ylpent-3-en-2-amine.

Molecular Properties

Compound Name4-methyl-N-propyl-1-thiophen-3-ylpent-3-en-2-amine
PubChem CID105163342
Molecular FormulaC13H21NS
Molecular Weight223.39 g/mol
Exact Mass223.14
IUPAC Name4-methyl-N-propyl-1-thiophen-3-ylpent-3-en-2-amine
SMILESCCCNC(C=C(C)C)Cc1ccsc1
InChIInChI=1S/C13H21NS/c1-4-6-14-13(8-11(2)3)9-12-5-7-15-10-12/h5,7-8,10,13-14H,4,6,9H2,1-3H3
InChIKeyNGCMGPRFGAEZGW-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.39
LogP ≤ 53.62
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-3-ylpent-4-yn-2-amine
CID 105077426
N-[1-(3-chlorothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 80645193
N-[1-(furan-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079126
N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079665
2-methyl-1-phenyl-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 104845591
N-propyl-1-thiophen-3-yl-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 105120984
N-propyl-1-(1,3-thiazol-2-yl)-3-thiophen-3-ylpropan-2-amine
CID 105169161
N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 63798477
1-(3-bromothiophen-2-yl)-N-propyl-3-thiophen-3-ylpropan-2-amine
CID 105139513
N-[1-(oxan-4-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 62907430
N-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078742
N-ethyl-4-methyl-1-pyridin-4-ylpent-3-en-2-amine
CID 79190966

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propyl-1-thiophen-3-ylpent-3-en-2-amine?
The IUPAC name of 4-methyl-N-propyl-1-thiophen-3-ylpent-3-en-2-amine (CID 105163342) is 4-methyl-N-propyl-1-thiophen-3-ylpent-3-en-2-amine.
What is the SMILES notation for 4-methyl-N-propyl-1-thiophen-3-ylpent-3-en-2-amine?
The canonical SMILES for 4-methyl-N-propyl-1-thiophen-3-ylpent-3-en-2-amine is CCCNC(C=C(C)C)Cc1ccsc1.
What is the InChIKey of 4-methyl-N-propyl-1-thiophen-3-ylpent-3-en-2-amine?
The InChIKey is NGCMGPRFGAEZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS/c1-4-6-14-13(8-11(2)3)9-12-5-7-15-10-12/h5,7-8,10,13-14H,4,6,9H2,1-3H3.
What are the key properties of 4-methyl-N-propyl-1-thiophen-3-ylpent-3-en-2-amine?
4-methyl-N-propyl-1-thiophen-3-ylpent-3-en-2-amine has a molecular weight of 223.39 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propyl-1-thiophen-3-ylpent-3-en-2-amine is sourced from PubChem (CID 105163342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).