N-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine

C14H29NS — CID 144865676

IUPACN-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCCN(C(C)C)C1CCC(CCSC)CC1
InChIInChI=1S/C14H29NS/c1-5-15(12(2)3)14-8-6-13(7-9-14)10-11-16-4/h12-14H,5-11H2,1-4H3
InChIKeyBFTIEZSOAWZVAK-UHFFFAOYSA-N
MW243.46 g/mol
LogP4.03
Rot. Bonds6

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

N-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine (PubChem CID 144865676) has the molecular formula C14H29NS and a molecular weight of 243.46 g/mol. Its IUPAC name is N-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine
PubChem CID144865676
Molecular FormulaC14H29NS
Molecular Weight243.46 g/mol
Exact Mass243.20
IUPAC NameN-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine
SMILESCCN(C(C)C)C1CCC(CCSC)CC1
InChIInChI=1S/C14H29NS/c1-5-15(12(2)3)14-8-6-13(7-9-14)10-11-16-4/h12-14H,5-11H2,1-4H3
InChIKeyBFTIEZSOAWZVAK-UHFFFAOYSA-N
XLogP4.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.46
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine (CID 144865676) is N-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine is CCN(C(C)C)C1CCC(CCSC)CC1.
What is the InChIKey of N-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine?
The InChIKey is BFTIEZSOAWZVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NS/c1-5-15(12(2)3)14-8-6-13(7-9-14)10-11-16-4/h12-14H,5-11H2,1-4H3.
What are the key properties of N-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine?
N-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine has a molecular weight of 243.46 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylsulfanylethyl)-N-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 144865676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).