N-[3-(5-chlorothiophen-2-yl)-3-methylbutyl]cyclopropanamine

C12H18ClNS — CID 79830033

IUPACN-[3-(5-chlorothiophen-2-yl)-3-methylbutyl]cyclopropanamine
SMILESCC(C)(CCNC1CC1)c1ccc(Cl)s1
InChIInChI=1S/C12H18ClNS/c1-12(2,7-8-14-9-3-4-9)10-5-6-11(13)15-10/h5-6,9,14H,3-4,7-8H2,1-2H3
InChIKeyQTEGTMVVJRZQJO-UHFFFAOYSA-N
MW243.80 g/mol
LogP3.82
Rot. Bonds5

About N-[3-(5-chlorothiophen-2-yl)-3-methylbutyl]cyclopropanamine

N-[3-(5-chlorothiophen-2-yl)-3-methylbutyl]cyclopropanamine (PubChem CID 79830033) has the molecular formula C12H18ClNS and a molecular weight of 243.80 g/mol. Its IUPAC name is N-[3-(5-chlorothiophen-2-yl)-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(5-chlorothiophen-2-yl)-3-methylbutyl]cyclopropanamine
PubChem CID79830033
Molecular FormulaC12H18ClNS
Molecular Weight243.80 g/mol
Exact Mass243.08
IUPAC NameN-[3-(5-chlorothiophen-2-yl)-3-methylbutyl]cyclopropanamine
SMILESCC(C)(CCNC1CC1)c1ccc(Cl)s1
InChIInChI=1S/C12H18ClNS/c1-12(2,7-8-14-9-3-4-9)10-5-6-11(13)15-10/h5-6,9,14H,3-4,7-8H2,1-2H3
InChIKeyQTEGTMVVJRZQJO-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.80
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(5-chloro-4-methylthiophen-2-yl)-3-methylbutyl]cyclopropanamine
CID 102765283
3-(5-chlorothiophen-2-yl)-3-methylbutan-1-ol
CID 79838000
N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine
CID 62528423
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine
CID 103698612
2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]ethanol
CID 115216508
N-[3-(3-chloro-4-methoxyphenyl)-3-methylbutyl]cyclopropanamine
CID 79829925
N'-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]methanediamine
CID 115226362
N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine
CID 65308853
2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]acetamide
CID 115162258
N-[3-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutyl]cyclopropanamine
CID 79830126
N-[2-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83151192
N-[5-(5-chlorothiophen-2-yl)pent-3-enyl]cyclopropanamine
CID 79590346

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chlorothiophen-2-yl)-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[3-(5-chlorothiophen-2-yl)-3-methylbutyl]cyclopropanamine (CID 79830033) is N-[3-(5-chlorothiophen-2-yl)-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[3-(5-chlorothiophen-2-yl)-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[3-(5-chlorothiophen-2-yl)-3-methylbutyl]cyclopropanamine is CC(C)(CCNC1CC1)c1ccc(Cl)s1.
What is the InChIKey of N-[3-(5-chlorothiophen-2-yl)-3-methylbutyl]cyclopropanamine?
The InChIKey is QTEGTMVVJRZQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNS/c1-12(2,7-8-14-9-3-4-9)10-5-6-11(13)15-10/h5-6,9,14H,3-4,7-8H2,1-2H3.
What are the key properties of N-[3-(5-chlorothiophen-2-yl)-3-methylbutyl]cyclopropanamine?
N-[3-(5-chlorothiophen-2-yl)-3-methylbutyl]cyclopropanamine has a molecular weight of 243.80 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chlorothiophen-2-yl)-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 79830033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).