N-[(4-methylsulfanylcyclohexyl)methyl]propan-2-amine

C11H23NS — CID 123861964

IUPACN-[(4-methylsulfanylcyclohexyl)methyl]propan-2-amine
SMILESCSC1CCC(CNC(C)C)CC1
InChIInChI=1S/C11H23NS/c1-9(2)12-8-10-4-6-11(13-3)7-5-10/h9-12H,4-8H2,1-3H3
InChIKeyQCRNZTROWLXQFK-UHFFFAOYSA-N
MW201.38 g/mol
LogP2.91
Rot. Bonds4

About N-[(4-methylsulfanylcyclohexyl)methyl]propan-2-amine

N-[(4-methylsulfanylcyclohexyl)methyl]propan-2-amine (PubChem CID 123861964) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is N-[(4-methylsulfanylcyclohexyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-methylsulfanylcyclohexyl)methyl]propan-2-amine
PubChem CID123861964
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC NameN-[(4-methylsulfanylcyclohexyl)methyl]propan-2-amine
SMILESCSC1CCC(CNC(C)C)CC1
InChIInChI=1S/C11H23NS/c1-9(2)12-8-10-4-6-11(13-3)7-5-10/h9-12H,4-8H2,1-3H3
InChIKeyQCRNZTROWLXQFK-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 208010
CID 208010
CID 140640625
CID 140640625
CID 100920931
CID 100920931
CID 208011
CID 208011
CID 43434423
CID 43434423
CID 43434511
CID 43434511
CID 43434639
CID 43434639
CID 64755686
CID 64755686
CID 64755687
CID 64755687
CID 64758290
CID 64758290
CID 64758494
CID 64758494
CID 64760023
CID 64760023

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfanylcyclohexyl)methyl]propan-2-amine?
The IUPAC name of N-[(4-methylsulfanylcyclohexyl)methyl]propan-2-amine (CID 123861964) is N-[(4-methylsulfanylcyclohexyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-methylsulfanylcyclohexyl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-methylsulfanylcyclohexyl)methyl]propan-2-amine is CSC1CCC(CNC(C)C)CC1.
What is the InChIKey of N-[(4-methylsulfanylcyclohexyl)methyl]propan-2-amine?
The InChIKey is QCRNZTROWLXQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-9(2)12-8-10-4-6-11(13-3)7-5-10/h9-12H,4-8H2,1-3H3.
What are the key properties of N-[(4-methylsulfanylcyclohexyl)methyl]propan-2-amine?
N-[(4-methylsulfanylcyclohexyl)methyl]propan-2-amine has a molecular weight of 201.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfanylcyclohexyl)methyl]propan-2-amine is sourced from PubChem (CID 123861964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).