N-[1-cyclohexyl-2-(cyclopentylmethylsulfinyl)ethyl]propan-1-amine

C17H33NOS — CID 104754785

IUPACN-[1-cyclohexyl-2-(cyclopentylmethylsulfinyl)ethyl]propan-1-amine
SMILESCCCNC(CS(=O)CC1CCCC1)C1CCCCC1
InChIInChI=1S/C17H33NOS/c1-2-12-18-17(16-10-4-3-5-11-16)14-20(19)13-15-8-6-7-9-15/h15-18H,2-14H2,1H3
InChIKeyPSCKJBDGASAELX-UHFFFAOYSA-N
MW299.52 g/mol
LogP3.87
Rot. Bonds8

About N-[1-cyclohexyl-2-(cyclopentylmethylsulfinyl)ethyl]propan-1-amine

N-[1-cyclohexyl-2-(cyclopentylmethylsulfinyl)ethyl]propan-1-amine (PubChem CID 104754785) has the molecular formula C17H33NOS and a molecular weight of 299.52 g/mol. Its IUPAC name is N-[1-cyclohexyl-2-(cyclopentylmethylsulfinyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-cyclohexyl-2-(cyclopentylmethylsulfinyl)ethyl]propan-1-amine
PubChem CID104754785
Molecular FormulaC17H33NOS
Molecular Weight299.52 g/mol
Exact Mass299.23
IUPAC NameN-[1-cyclohexyl-2-(cyclopentylmethylsulfinyl)ethyl]propan-1-amine
SMILESCCCNC(CS(=O)CC1CCCC1)C1CCCCC1
InChIInChI=1S/C17H33NOS/c1-2-12-18-17(16-10-4-3-5-11-16)14-20(19)13-15-8-6-7-9-15/h15-18H,2-14H2,1H3
InChIKeyPSCKJBDGASAELX-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.52
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopentyl-2-propan-2-ylsulfinylethyl)propan-1-amine
CID 104754724
N-(1-cyclohexyl-2-cyclopropylethyl)propan-1-amine
CID 64906584
1-cyclododecyl-N-propylpropan-1-amine
CID 79308094
1-cyclohexyl-N-ethyl-2-ethylsulfinylethanamine
CID 104754519
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
1-(cyclopentylmethylsulfinyl)-N-ethylpropan-2-amine
CID 64656891
1-cyclohexyl-N',N'-bis(cyclopropylmethyl)-N-propylethane-1,2-diamine
CID 104746446
N-(1-cycloheptyl-2-methylsulfonylethyl)propan-1-amine
CID 105027602
N-[1-cyclopentyl-2-(cyclopentylmethylsulfonyl)ethyl]propan-1-amine
CID 104754263
N-[1-cyclopentyl-2-(2-methyloxolan-3-yl)sulfinylethyl]propan-1-amine
CID 107758464
1-cyclohexyl-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 79089211
3-cyclopentyl-1-cyclopropyl-N-propylpropan-1-amine
CID 63354880

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-2-(cyclopentylmethylsulfinyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-cyclohexyl-2-(cyclopentylmethylsulfinyl)ethyl]propan-1-amine (CID 104754785) is N-[1-cyclohexyl-2-(cyclopentylmethylsulfinyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-cyclohexyl-2-(cyclopentylmethylsulfinyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-cyclohexyl-2-(cyclopentylmethylsulfinyl)ethyl]propan-1-amine is CCCNC(CS(=O)CC1CCCC1)C1CCCCC1.
What is the InChIKey of N-[1-cyclohexyl-2-(cyclopentylmethylsulfinyl)ethyl]propan-1-amine?
The InChIKey is PSCKJBDGASAELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NOS/c1-2-12-18-17(16-10-4-3-5-11-16)14-20(19)13-15-8-6-7-9-15/h15-18H,2-14H2,1H3.
What are the key properties of N-[1-cyclohexyl-2-(cyclopentylmethylsulfinyl)ethyl]propan-1-amine?
N-[1-cyclohexyl-2-(cyclopentylmethylsulfinyl)ethyl]propan-1-amine has a molecular weight of 299.52 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-2-(cyclopentylmethylsulfinyl)ethyl]propan-1-amine is sourced from PubChem (CID 104754785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).