N,4-diethyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine

C14H29NOS — CID 64651216

IUPACN,4-diethyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1S(=O)CC(C)C
InChIInChI=1S/C14H29NOS/c1-5-12-7-8-13(15-6-2)14(9-12)17(16)10-11(3)4/h11-15H,5-10H2,1-4H3
InChIKeyQGVRTCYCUKJSNU-UHFFFAOYSA-N
MW259.46 g/mol
LogP2.95
Rot. Bonds6

About N,4-diethyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine

N,4-diethyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine (PubChem CID 64651216) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is N,4-diethyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-diethyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine
PubChem CID64651216
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC NameN,4-diethyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1S(=O)CC(C)C
InChIInChI=1S/C14H29NOS/c1-5-12-7-8-13(15-6-2)14(9-12)17(16)10-11(3)4/h11-15H,5-10H2,1-4H3
InChIKeyQGVRTCYCUKJSNU-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-4-methyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine
CID 64651423
2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine
CID 64651231
N-ethyl-2-(2-methylpropylsulfinyl)-4-phenylcyclohexan-1-amine
CID 64652860
2-(2,4-dimethylphenyl)sulfinyl-N,4-diethylcyclohexan-1-amine
CID 64659873
N,4-diethyl-2-(3-methylphenyl)sulfinylcyclohexan-1-amine
CID 64656639
N-ethyl-4-methyl-2-propylsulfinylcyclohexan-1-amine
CID 64652163
2-(3-bromophenyl)sulfinyl-N,4-diethylcyclohexan-1-amine
CID 64658970
[2-(2-methylpropylsulfinyl)-4-propylcyclohexyl]methanamine
CID 81328958
2-butylsulfinyl-N-ethyl-4-methylcyclohexan-1-amine
CID 64653897
N-ethyl-2-(3-methoxypropylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 64659603
2-cyclohexylsulfinyl-N-ethyl-4-propylcyclohexan-1-amine
CID 64656792
N-ethyl-2-(oxolan-2-ylmethylsulfinyl)-4-propan-2-ylcyclohexan-1-amine
CID 106496313

Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine?
The IUPAC name of N,4-diethyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine (CID 64651216) is N,4-diethyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine.
What is the SMILES notation for N,4-diethyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine?
The canonical SMILES for N,4-diethyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine is CCNC1CCC(CC)CC1S(=O)CC(C)C.
What is the InChIKey of N,4-diethyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine?
The InChIKey is QGVRTCYCUKJSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-5-12-7-8-13(15-6-2)14(9-12)17(16)10-11(3)4/h11-15H,5-10H2,1-4H3.
What are the key properties of N,4-diethyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine?
N,4-diethyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine has a molecular weight of 259.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine is sourced from PubChem (CID 64651216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).