1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine

C18H32ClNS — CID 115841634

IUPAC1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine
SMILESCCCCCCCCCC(Cc1ccc(Cl)s1)NCCC
InChIInChI=1S/C18H32ClNS/c1-3-5-6-7-8-9-10-11-16(20-14-4-2)15-17-12-13-18(19)21-17/h12-13,16,20H,3-11,14-15H2,1-2H3
InChIKeyOMQILBJOHGPYII-UHFFFAOYSA-N
MW329.98 g/mol
LogP6.45
Rot. Bonds13

About 1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine

1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine (PubChem CID 115841634) has the molecular formula C18H32ClNS and a molecular weight of 329.98 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine
PubChem CID115841634
Molecular FormulaC18H32ClNS
Molecular Weight329.98 g/mol
Exact Mass329.19
IUPAC Name1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine
SMILESCCCCCCCCCC(Cc1ccc(Cl)s1)NCCC
InChIInChI=1S/C18H32ClNS/c1-3-5-6-7-8-9-10-11-16(20-14-4-2)15-17-12-13-18(19)21-17/h12-13,16,20H,3-11,14-15H2,1-2H3
InChIKeyOMQILBJOHGPYII-UHFFFAOYSA-N
XLogP6.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.98
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chlorothiophen-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 63417307
1-(5-chlorothiophen-2-yl)-4-methyl-N-propylhexan-2-amine
CID 115841697
1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)-N-propylpropan-2-amine
CID 63416020
N-ethyl-1-(5-ethylthiophen-2-yl)decan-2-amine
CID 115842720
1-(4-chlorophenyl)-N-propyldecan-2-amine
CID 63413044
1-(2-chloro-4-fluorophenyl)-N-propylnonan-2-amine
CID 63419904
1-(4-ethylphenyl)-N-propylnonan-2-amine
CID 115803240
N-[2-(5-chlorothiophen-2-yl)ethyl]heptan-4-amine
CID 106042280
1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine
CID 63560615
1-(5-ethylthiophen-2-yl)decan-2-ylhydrazine
CID 105296454
1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine
CID 62600562
1-(furan-2-yl)-N-propyldecan-2-amine
CID 105029170

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine (CID 115841634) is 1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine is CCCCCCCCCC(Cc1ccc(Cl)s1)NCCC.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine?
The InChIKey is OMQILBJOHGPYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32ClNS/c1-3-5-6-7-8-9-10-11-16(20-14-4-2)15-17-12-13-18(19)21-17/h12-13,16,20H,3-11,14-15H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine?
1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine has a molecular weight of 329.98 g/mol, XLogP of 6.45, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine is sourced from PubChem (CID 115841634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).