4-(ethylsulfanylmethyl)-N-methylcyclohexan-1-amine

C10H21NS — CID 67721034

IUPAC4-(ethylsulfanylmethyl)-N-methylcyclohexan-1-amine
SMILESCCSCC1CCC(NC)CC1
InChIInChI=1S/C10H21NS/c1-3-12-8-9-4-6-10(11-2)7-5-9/h9-11H,3-8H2,1-2H3
InChIKeyBECNTIARCSLKEE-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.52
Rot. Bonds4

About 4-(ethylsulfanylmethyl)-N-methylcyclohexan-1-amine

4-(ethylsulfanylmethyl)-N-methylcyclohexan-1-amine (PubChem CID 67721034) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 4-(ethylsulfanylmethyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(ethylsulfanylmethyl)-N-methylcyclohexan-1-amine
PubChem CID67721034
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name4-(ethylsulfanylmethyl)-N-methylcyclohexan-1-amine
SMILESCCSCC1CCC(NC)CC1
InChIInChI=1S/C10H21NS/c1-3-12-8-9-4-6-10(11-2)7-5-9/h9-11H,3-8H2,1-2H3
InChIKeyBECNTIARCSLKEE-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-ethyl-1-N,4-N-dimethylcyclononane-1,4-diamine
CID 91593500
(1R)-4-ethyl-N-methylcycloheptan-1-amine
CID 155058936
(3R)-3-ethyl-N-methylcyclopentan-1-amine
CID 143473182
3-(ethylsulfanylmethyl)oxolane
CID 130928771
1,2-bis(ethylsulfanylmethyl)cyclohexane
CID 69353267
4-[(3-ethylazetidin-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 155331377
N-(cyclopropylmethyl)-2-ethylsulfanylethanamine
CID 62578386
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclohexan-1-amine
CID 65129910
4-(5-bromopentyl)-N-methylcyclohexan-1-amine
CID 22567858
3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-methylpropanenitrile
CID 63120172
N-methyl-3-[2-(trifluoromethylsulfanyl)ethyl]cyclopentan-1-amine
CID 116627222
2-bromoprop-2-enylsulfanylmethylcyclopropane
CID 130775642

Frequently Asked Questions

What is the IUPAC name of 4-(ethylsulfanylmethyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 4-(ethylsulfanylmethyl)-N-methylcyclohexan-1-amine (CID 67721034) is 4-(ethylsulfanylmethyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-(ethylsulfanylmethyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-(ethylsulfanylmethyl)-N-methylcyclohexan-1-amine is CCSCC1CCC(NC)CC1.
What is the InChIKey of 4-(ethylsulfanylmethyl)-N-methylcyclohexan-1-amine?
The InChIKey is BECNTIARCSLKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-3-12-8-9-4-6-10(11-2)7-5-9/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-(ethylsulfanylmethyl)-N-methylcyclohexan-1-amine?
4-(ethylsulfanylmethyl)-N-methylcyclohexan-1-amine has a molecular weight of 187.35 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylsulfanylmethyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 67721034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).