N-[(4-cyclopentylsulfanyl-2-methylphenyl)methyl]cyclopropanamine

C16H23NS — CID 63814537

IUPACN-[(4-cyclopentylsulfanyl-2-methylphenyl)methyl]cyclopropanamine
SMILESCc1cc(SC2CCCC2)ccc1CNC1CC1
InChIInChI=1S/C16H23NS/c1-12-10-16(18-15-4-2-3-5-15)9-6-13(12)11-17-14-7-8-14/h6,9-10,14-15,17H,2-5,7-8,11H2,1H3
InChIKeyKAKDFYIEEJLPMY-UHFFFAOYSA-N
MW261.43 g/mol
LogP4.28
Rot. Bonds5

About N-[(4-cyclopentylsulfanyl-2-methylphenyl)methyl]cyclopropanamine

N-[(4-cyclopentylsulfanyl-2-methylphenyl)methyl]cyclopropanamine (PubChem CID 63814537) has the molecular formula C16H23NS and a molecular weight of 261.43 g/mol. Its IUPAC name is N-[(4-cyclopentylsulfanyl-2-methylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-cyclopentylsulfanyl-2-methylphenyl)methyl]cyclopropanamine
PubChem CID63814537
Molecular FormulaC16H23NS
Molecular Weight261.43 g/mol
Exact Mass261.16
IUPAC NameN-[(4-cyclopentylsulfanyl-2-methylphenyl)methyl]cyclopropanamine
SMILESCc1cc(SC2CCCC2)ccc1CNC1CC1
InChIInChI=1S/C16H23NS/c1-12-10-16(18-15-4-2-3-5-15)9-6-13(12)11-17-14-7-8-14/h6,9-10,14-15,17H,2-5,7-8,11H2,1H3
InChIKeyKAKDFYIEEJLPMY-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2,4-dimethylphenyl)sulfanyl-2-methylphenyl]methyl]cyclopropanamine
CID 63804914
N-[[2-methyl-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]methyl]cyclopropanamine
CID 106926606
4-[(cyclopentylamino)methyl]-3-methylbenzonitrile
CID 114479554
N-[[2-bromo-4-(oxetan-3-ylsulfanyl)phenyl]methyl]cyclopropanamine
CID 114061111
2-methyl-N-[[2-methyl-4-(oxan-4-ylsulfanyl)phenyl]methyl]propan-1-amine
CID 63814244
2-methoxy-N-[[2-methyl-4-(oxan-4-ylsulfanyl)phenyl]methyl]ethanamine
CID 63813776
N-[(4-chloro-2-methylphenyl)methyl]-3-methylsulfanylcyclopentan-1-amine
CID 104854276
4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline
CID 62136200
3-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64718224
4-[(cyclopentylamino)methyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482642
N-[[4-(2-ethylazepan-1-yl)-2-methylphenyl]methyl]cyclopropanamine
CID 104690769
N-[(4-methylthiophen-3-yl)methyl]cyclopentanamine
CID 79803372

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopentylsulfanyl-2-methylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-cyclopentylsulfanyl-2-methylphenyl)methyl]cyclopropanamine (CID 63814537) is N-[(4-cyclopentylsulfanyl-2-methylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-cyclopentylsulfanyl-2-methylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-cyclopentylsulfanyl-2-methylphenyl)methyl]cyclopropanamine is Cc1cc(SC2CCCC2)ccc1CNC1CC1.
What is the InChIKey of N-[(4-cyclopentylsulfanyl-2-methylphenyl)methyl]cyclopropanamine?
The InChIKey is KAKDFYIEEJLPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NS/c1-12-10-16(18-15-4-2-3-5-15)9-6-13(12)11-17-14-7-8-14/h6,9-10,14-15,17H,2-5,7-8,11H2,1H3.
What are the key properties of N-[(4-cyclopentylsulfanyl-2-methylphenyl)methyl]cyclopropanamine?
N-[(4-cyclopentylsulfanyl-2-methylphenyl)methyl]cyclopropanamine has a molecular weight of 261.43 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopentylsulfanyl-2-methylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 63814537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).