ethane;4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine

C14H31NS — CID 144865569

IUPACethane;4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCC.CSCCC1CCC(NC(C)C)CC1
InChIInChI=1S/C12H25NS.C2H6/c1-10(2)13-12-6-4-11(5-7-12)8-9-14-3;1-2/h10-13H,4-9H2,1-3H3;1-2H3
InChIKeyFQYDXACDQSVMJV-UHFFFAOYSA-N
MW245.48 g/mol
LogP4.32
Rot. Bonds5

About ethane;4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine

ethane;4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine (PubChem CID 144865569) has the molecular formula C14H31NS and a molecular weight of 245.48 g/mol. Its IUPAC name is ethane;4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Nameethane;4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine
PubChem CID144865569
Molecular FormulaC14H31NS
Molecular Weight245.48 g/mol
Exact Mass245.22
IUPAC Nameethane;4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCC.CSCCC1CCC(NC(C)C)CC1
InChIInChI=1S/C12H25NS.C2H6/c1-10(2)13-12-6-4-11(5-7-12)8-9-14-3;1-2/h10-13H,4-9H2,1-3H3;1-2H3
InChIKeyFQYDXACDQSVMJV-UHFFFAOYSA-N
XLogP4.32
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of ethane;4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine (CID 144865569) is ethane;4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for ethane;4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for ethane;4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine is CC.CSCCC1CCC(NC(C)C)CC1.
What is the InChIKey of ethane;4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is FQYDXACDQSVMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS.C2H6/c1-10(2)13-12-6-4-11(5-7-12)8-9-14-3;1-2/h10-13H,4-9H2,1-3H3;1-2H3.
What are the key properties of ethane;4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine?
ethane;4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 245.48 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 144865569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).