2-(2-methylbutylsulfinyl)-N-propylcyclohexan-1-amine

C14H29NOS — CID 107759857

IUPAC2-(2-methylbutylsulfinyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1S(=O)CC(C)CC
InChIInChI=1S/C14H29NOS/c1-4-10-15-13-8-6-7-9-14(13)17(16)11-12(3)5-2/h12-15H,4-11H2,1-3H3
InChIKeyFJSAJOCPKRPUHB-UHFFFAOYSA-N
MW259.46 g/mol
LogP3.09
Rot. Bonds7

About 2-(2-methylbutylsulfinyl)-N-propylcyclohexan-1-amine

2-(2-methylbutylsulfinyl)-N-propylcyclohexan-1-amine (PubChem CID 107759857) has the molecular formula C14H29NOS and a molecular weight of 259.46 g/mol. Its IUPAC name is 2-(2-methylbutylsulfinyl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-methylbutylsulfinyl)-N-propylcyclohexan-1-amine
PubChem CID107759857
Molecular FormulaC14H29NOS
Molecular Weight259.46 g/mol
Exact Mass259.20
IUPAC Name2-(2-methylbutylsulfinyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1S(=O)CC(C)CC
InChIInChI=1S/C14H29NOS/c1-4-10-15-13-8-6-7-9-14(13)17(16)11-12(3)5-2/h12-15H,4-11H2,1-3H3
InChIKeyFJSAJOCPKRPUHB-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(2-methylbutylsulfinyl)cycloheptan-1-amine
CID 107760075
2-propan-2-ylsulfinyl-N-propylcyclohexan-1-amine
CID 64654374
2-ethylsulfinyl-N-propylcyclopentan-1-amine
CID 64652953
2-pentylsulfinyl-N-propylcyclooctan-1-amine
CID 107759026
2-cyclohexylsulfinyl-N-propylcyclopentan-1-amine
CID 64655374
2-(2-methylbutylsulfinyl)cycloheptane-1-carbonitrile
CID 107767191
2-(3-methoxypropylsulfinyl)-N-propylcyclopentan-1-amine
CID 64659982
2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine
CID 64651231
N-ethyl-2-ethylsulfinylcyclohexan-1-amine
CID 64651715
2-(2-methylbutylsulfanyl)-N-propylcycloheptan-1-amine
CID 107763648
2-propan-2-yl-N-propylcyclohexan-1-amine
CID 62603110
N-ethyl-2-propylsulfinylcyclopentan-1-amine
CID 64653812

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutylsulfinyl)-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(2-methylbutylsulfinyl)-N-propylcyclohexan-1-amine (CID 107759857) is 2-(2-methylbutylsulfinyl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-methylbutylsulfinyl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(2-methylbutylsulfinyl)-N-propylcyclohexan-1-amine is CCCNC1CCCCC1S(=O)CC(C)CC.
What is the InChIKey of 2-(2-methylbutylsulfinyl)-N-propylcyclohexan-1-amine?
The InChIKey is FJSAJOCPKRPUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NOS/c1-4-10-15-13-8-6-7-9-14(13)17(16)11-12(3)5-2/h12-15H,4-11H2,1-3H3.
What are the key properties of 2-(2-methylbutylsulfinyl)-N-propylcyclohexan-1-amine?
2-(2-methylbutylsulfinyl)-N-propylcyclohexan-1-amine has a molecular weight of 259.46 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutylsulfinyl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 107759857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).