N-[2-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine

C14H22ClNS — CID 83151192

IUPACN-[2-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine
SMILESCC(C)C(C)(CNC1CC1)Cc1ccc(Cl)s1
InChIInChI=1S/C14H22ClNS/c1-10(2)14(3,9-16-11-4-5-11)8-12-6-7-13(15)17-12/h6-7,10-11,16H,4-5,8-9H2,1-3H3
InChIKeyGHCKMQDYFUTILT-UHFFFAOYSA-N
MW271.86 g/mol
LogP4.36
Rot. Bonds6

About N-[2-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine

N-[2-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine (PubChem CID 83151192) has the molecular formula C14H22ClNS and a molecular weight of 271.86 g/mol. Its IUPAC name is N-[2-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine
PubChem CID83151192
Molecular FormulaC14H22ClNS
Molecular Weight271.86 g/mol
Exact Mass271.12
IUPAC NameN-[2-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine
SMILESCC(C)C(C)(CNC1CC1)Cc1ccc(Cl)s1
InChIInChI=1S/C14H22ClNS/c1-10(2)14(3,9-16-11-4-5-11)8-12-6-7-13(15)17-12/h6-7,10-11,16H,4-5,8-9H2,1-3H3
InChIKeyGHCKMQDYFUTILT-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.86
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine with MolForge

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Related Compounds

N-[2-[(2-chloro-4-methylphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 106869645
N-[2-[(3-chloro-2-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 102859251
N-[2-[(4-chloro-3-fluorophenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 107897591
N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine
CID 62528423
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine
CID 103698612
N-[2-[(5-chloro-2-methoxyphenyl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83151545
2-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-2-methyl-3-oxopropanoic acid
CID 114900410
N-[2,3-dimethyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]butyl]cyclopropanamine
CID 83150850
N-[2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83151196
2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-cyclopropyl-2-N-methylbutane-1,2-diamine
CID 62430146
2-chloro-5-(3-chloro-2-cyclopropyl-2-methylpropyl)thiophene
CID 83150937
N-[2-[(5-ethylthiophen-2-yl)methyl]-2-methylbutyl]cyclopropanamine
CID 62718626

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine (CID 83151192) is N-[2-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine is CC(C)C(C)(CNC1CC1)Cc1ccc(Cl)s1.
What is the InChIKey of N-[2-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
The InChIKey is GHCKMQDYFUTILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNS/c1-10(2)14(3,9-16-11-4-5-11)8-12-6-7-13(15)17-12/h6-7,10-11,16H,4-5,8-9H2,1-3H3.
What are the key properties of N-[2-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine?
N-[2-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine has a molecular weight of 271.86 g/mol, XLogP of 4.36, 6 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)methyl]-2,3-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 83151192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).