N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylprop-2-en-1-amine

C10H14ClNS — CID 106046390

IUPACN-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNCCc1ccc(Cl)s1
InChIInChI=1S/C10H14ClNS/c1-8(2)7-12-6-5-9-3-4-10(11)13-9/h3-4,12H,1,5-7H2,2H3
InChIKeyVBMOCJORLGWDBM-UHFFFAOYSA-N
MW215.75 g/mol
LogP3.11
Rot. Bonds5

About N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylprop-2-en-1-amine

N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylprop-2-en-1-amine (PubChem CID 106046390) has the molecular formula C10H14ClNS and a molecular weight of 215.75 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylprop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylprop-2-en-1-amine
PubChem CID106046390
Molecular FormulaC10H14ClNS
Molecular Weight215.75 g/mol
Exact Mass215.05
IUPAC NameN-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylprop-2-en-1-amine
SMILESC=C(C)CNCCc1ccc(Cl)s1
InChIInChI=1S/C10H14ClNS/c1-8(2)7-12-6-5-9-3-4-10(11)13-9/h3-4,12H,1,5-7H2,2H3
InChIKeyVBMOCJORLGWDBM-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.75
LogP ≤ 53.11
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

N-[2-(5-chlorothiophen-2-yl)ethyl]-2,2-difluoroethanamine
CID 106046426
5-[2-(5-chlorothiophen-2-yl)ethylamino]pentan-1-ol
CID 106046424
2-[2-(5-chlorothiophen-2-yl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 114140380
methyl (E)-4-[2-(5-chlorothiophen-2-yl)ethylamino]-2-methylbut-2-enoate
CID 106036866
2-acetamido-3-[2-(5-chlorothiophen-2-yl)ethylamino]propanoic acid
CID 106036805
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylpentan-1-amine
CID 102671613
N-[2-(5-chlorothiophen-2-yl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 106046261
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methoxypropan-1-amine
CID 106046541
N-(2-butoxyethyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 106046388
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735855
methyl 2-acetamido-3-[2-(5-chlorothiophen-2-yl)ethylamino]propanoate
CID 106036862
2-(5-chlorothiophen-2-yl)ethylcarbamic acid
CID 115171101

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylprop-2-en-1-amine?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylprop-2-en-1-amine (CID 106046390) is N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylprop-2-en-1-amine.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylprop-2-en-1-amine?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylprop-2-en-1-amine is C=C(C)CNCCc1ccc(Cl)s1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylprop-2-en-1-amine?
The InChIKey is VBMOCJORLGWDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNS/c1-8(2)7-12-6-5-9-3-4-10(11)13-9/h3-4,12H,1,5-7H2,2H3.
What are the key properties of N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylprop-2-en-1-amine?
N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylprop-2-en-1-amine has a molecular weight of 215.75 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylprop-2-en-1-amine is sourced from PubChem (CID 106046390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).