2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine

C16H33NOS — CID 64651231

IUPAC2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine
SMILESCCCNC1CCC(CCC)CC1S(=O)CC(C)C
InChIInChI=1S/C16H33NOS/c1-5-7-14-8-9-15(17-10-6-2)16(11-14)19(18)12-13(3)4/h13-17H,5-12H2,1-4H3
InChIKeyKUQUXNDFEXLLFL-UHFFFAOYSA-N
MW287.51 g/mol
LogP3.73
Rot. Bonds8

About 2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine

2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine (PubChem CID 64651231) has the molecular formula C16H33NOS and a molecular weight of 287.51 g/mol. Its IUPAC name is 2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine
PubChem CID64651231
Molecular FormulaC16H33NOS
Molecular Weight287.51 g/mol
Exact Mass287.23
IUPAC Name2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine
SMILESCCCNC1CCC(CCC)CC1S(=O)CC(C)C
InChIInChI=1S/C16H33NOS/c1-5-7-14-8-9-15(17-10-6-2)16(11-14)19(18)12-13(3)4/h13-17H,5-12H2,1-4H3
InChIKeyKUQUXNDFEXLLFL-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.51
LogP ≤ 53.73
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
2-(oxolan-2-ylmethylsulfinyl)-N,4-dipropylcyclohexan-1-amine
CID 106496357
[2-(2-methylpropylsulfinyl)-4-propylcyclohexyl]methanamine
CID 81328958
N-ethyl-4-methyl-2-(2-methylpropylsulfinyl)cyclohexan-1-amine
CID 64651423
2-ethylsulfinyl-N-methyl-4-propylcyclohexan-1-amine
CID 64651091
2-butylsulfinyl-N-methyl-4-propylcyclohexan-1-amine
CID 64651470
2-(2-methylbutylsulfinyl)-N-propylcyclohexan-1-amine
CID 107759857
2-pentylsulfinyl-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 107758756
2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine
CID 82929498
2-[2-(2-methylpropoxy)ethoxy]-N,4-dipropylcyclohexan-1-amine
CID 106447149
2-cyclohexylsulfinyl-N-ethyl-4-propylcyclohexan-1-amine
CID 64656792
2-[[butan-2-yl(ethyl)amino]methyl]-N,4-dipropylcyclohexan-1-amine
CID 63483809

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine?
The IUPAC name of 2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine (CID 64651231) is 2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine?
The canonical SMILES for 2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine is CCCNC1CCC(CCC)CC1S(=O)CC(C)C.
What is the InChIKey of 2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine?
The InChIKey is KUQUXNDFEXLLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NOS/c1-5-7-14-8-9-15(17-10-6-2)16(11-14)19(18)12-13(3)4/h13-17H,5-12H2,1-4H3.
What are the key properties of 2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine?
2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine has a molecular weight of 287.51 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine is sourced from PubChem (CID 64651231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).