5-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine

C13H20ClNS — CID 79598400

IUPAC5-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCC(C)CNCCC=CCc1ccc(Cl)s1
InChIInChI=1S/C13H20ClNS/c1-11(2)10-15-9-5-3-4-6-12-7-8-13(14)16-12/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3
InChIKeyKMBBFXTYFLKNDE-UHFFFAOYSA-N
MW257.83 g/mol
LogP4.14
Rot. Bonds7

About 5-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine

5-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine (PubChem CID 79598400) has the molecular formula C13H20ClNS and a molecular weight of 257.83 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine
PubChem CID79598400
Molecular FormulaC13H20ClNS
Molecular Weight257.83 g/mol
Exact Mass257.10
IUPAC Name5-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine
SMILESCC(C)CNCCC=CCc1ccc(Cl)s1
InChIInChI=1S/C13H20ClNS/c1-11(2)10-15-9-5-3-4-6-12-7-8-13(14)16-12/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3
InChIKeyKMBBFXTYFLKNDE-UHFFFAOYSA-N
XLogP4.14
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.83
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2,6-dichlorophenyl)-N-(2-methylpropyl)pent-3-en-1-amine
CID 79598142
N-[5-(5-chlorothiophen-2-yl)pent-3-enyl]cyclopropanamine
CID 79590346
4-(5-chlorothiophen-2-yl)-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 81034530
1-(5-chlorothiophen-2-yl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66002664
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxypropan-1-amine
CID 106046541
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylpentan-1-amine
CID 102671613
(E)-4-chloro-N-(2-methylpropyl)but-3-en-1-amine
CID 107900963
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine
CID 106046426
4-(3-chlorophenyl)-N-(2-methylpropyl)but-3-en-1-amine
CID 79598788
N-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutan-1-amine
CID 64570073
N-[(5-chlorothiophen-2-yl)methyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904677
2-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)acetamide
CID 110767654

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine (CID 79598400) is 5-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine is CC(C)CNCCC=CCc1ccc(Cl)s1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine?
The InChIKey is KMBBFXTYFLKNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNS/c1-11(2)10-15-9-5-3-4-6-12-7-8-13(14)16-12/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3.
What are the key properties of 5-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine?
5-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine has a molecular weight of 257.83 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)pent-3-en-1-amine is sourced from PubChem (CID 79598400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).