N-ethyl-4-methyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine

C13H27NOS — CID 64651423

IUPACN-ethyl-4-methyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine
SMILESCCNC1CCC(C)CC1S(=O)CC(C)C
InChIInChI=1S/C13H27NOS/c1-5-14-12-7-6-11(4)8-13(12)16(15)9-10(2)3/h10-14H,5-9H2,1-4H3
InChIKeyKCCSJFCOHSAVJV-UHFFFAOYSA-N
MW245.43 g/mol
LogP2.56
Rot. Bonds5

About N-ethyl-4-methyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine

N-ethyl-4-methyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine (PubChem CID 64651423) has the molecular formula C13H27NOS and a molecular weight of 245.43 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine
PubChem CID64651423
Molecular FormulaC13H27NOS
Molecular Weight245.43 g/mol
Exact Mass245.18
IUPAC NameN-ethyl-4-methyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine
SMILESCCNC1CCC(C)CC1S(=O)CC(C)C
InChIInChI=1S/C13H27NOS/c1-5-14-12-7-6-11(4)8-13(12)16(15)9-10(2)3/h10-14H,5-9H2,1-4H3
InChIKeyKCCSJFCOHSAVJV-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,4-diethyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine
CID 64651216
N-ethyl-4-methyl-2-propylsulfinylcyclohexan-1-amine
CID 64652163
2-butylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64653897
N-ethyl-2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine
CID 64652860
2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine
CID 64651231
2-cyclopentylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64656857
N-ethyl-2-(3-methoxypropylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 64659603
2-cyclopentylsulfinyl-4-methyl-N-propylcyclohexan-1-amine
CID 64654215
N-ethyl-5-methyl-2-propan-2-ylcyclohexane-1-sulfinamide
CID 21439262
N-ethyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 106496313
N-ethyl-2-propylsulfinylcyclopentan-1-amine
CID 64653812
N-ethyl-4-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)cyclohexan-1-amine
CID 113417248

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-methyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine (CID 64651423) is N-ethyl-4-methyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-methyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine is CCNC1CCC(C)CC1S(=O)CC(C)C.
What is the InChIKey of N-ethyl-4-methyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine?
The InChIKey is KCCSJFCOHSAVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NOS/c1-5-14-12-7-6-11(4)8-13(12)16(15)9-10(2)3/h10-14H,5-9H2,1-4H3.
What are the key properties of N-ethyl-4-methyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine?
N-ethyl-4-methyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine has a molecular weight of 245.43 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine is sourced from PubChem (CID 64651423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).