(E)-3-ethyl-4-methyl-8-methylsulfinyl-2-propylnon-4-en-1-amine

C16H33NOS — CID 155008146

IUPAC(E)-3-ethyl-4-methyl-8-methylsulfinyl-2-propylnon-4-en-1-amine
SMILESCCCC(CN)C(CC)/C(C)=C/CCC(C)S(C)=O
InChIInChI=1S/C16H33NOS/c1-6-9-15(12-17)16(7-2)13(3)10-8-11-14(4)19(5)18/h10,14-16H,6-9,11-12,17H2,1-5H3/b13-10+
InChIKeyDHJSSRNVUUADEM-JLHYYAGUSA-N
MW287.51 g/mol
LogP3.88
Rot. Bonds10

About (E)-3-ethyl-4-methyl-8-methylsulfinyl-2-propylnon-4-en-1-amine

(E)-3-ethyl-4-methyl-8-methylsulfinyl-2-propylnon-4-en-1-amine (PubChem CID 155008146) has the molecular formula C16H33NOS and a molecular weight of 287.51 g/mol. Its IUPAC name is (E)-3-ethyl-4-methyl-8-methylsulfinyl-2-propylnon-4-en-1-amine.

Molecular Properties

Compound Name(E)-3-ethyl-4-methyl-8-methylsulfinyl-2-propylnon-4-en-1-amine
PubChem CID155008146
Molecular FormulaC16H33NOS
Molecular Weight287.51 g/mol
Exact Mass287.23
IUPAC Name(E)-3-ethyl-4-methyl-8-methylsulfinyl-2-propylnon-4-en-1-amine
SMILESCCCC(CN)C(CC)/C(C)=C/CCC(C)S(C)=O
InChIInChI=1S/C16H33NOS/c1-6-9-15(12-17)16(7-2)13(3)10-8-11-14(4)19(5)18/h10,14-16H,6-9,11-12,17H2,1-5H3/b13-10+
InChIKeyDHJSSRNVUUADEM-JLHYYAGUSA-N
XLogP3.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.51
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[3-(2-Propylpentylsulfinyl)cyclohexa-2,4-dien-1-yl]propan-1-amine
CID 90785052
CID 174092478
CID 174092478
N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-3-methylsulfinylpropan-1-amine
CID 86799421
N-[(2,6-dimethylcyclohex-2-en-1-yl)methyl]-2-methylsulfinylpropan-1-amine
CID 86799446
(2R)-N-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-2-[(S)-methylsulfinyl]propan-1-amine
CID 97818481
(2R)-N-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-2-[(S)-methylsulfinyl]propan-1-amine
CID 97818482
(2R)-N-[[(1S,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-2-[(S)-methylsulfinyl]propan-1-amine
CID 97818487
(2R)-N-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-2-[(S)-methylsulfinyl]propan-1-amine
CID 97818488
N-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-3-[(S)-methylsulfinyl]propan-1-amine
CID 99696844
N-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-3-[(S)-methylsulfinyl]propan-1-amine
CID 99696845
N-[[(1S,6R)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-3-[(S)-methylsulfinyl]propan-1-amine
CID 99696846
N-[[(1S,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-3-[(S)-methylsulfinyl]propan-1-amine
CID 99696847

Frequently Asked Questions

What is the IUPAC name of (E)-3-ethyl-4-methyl-8-methylsulfinyl-2-propylnon-4-en-1-amine?
The IUPAC name of (E)-3-ethyl-4-methyl-8-methylsulfinyl-2-propylnon-4-en-1-amine (CID 155008146) is (E)-3-ethyl-4-methyl-8-methylsulfinyl-2-propylnon-4-en-1-amine.
What is the SMILES notation for (E)-3-ethyl-4-methyl-8-methylsulfinyl-2-propylnon-4-en-1-amine?
The canonical SMILES for (E)-3-ethyl-4-methyl-8-methylsulfinyl-2-propylnon-4-en-1-amine is CCCC(CN)C(CC)/C(C)=C/CCC(C)S(C)=O.
What is the InChIKey of (E)-3-ethyl-4-methyl-8-methylsulfinyl-2-propylnon-4-en-1-amine?
The InChIKey is DHJSSRNVUUADEM-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H33NOS/c1-6-9-15(12-17)16(7-2)13(3)10-8-11-14(4)19(5)18/h10,14-16H,6-9,11-12,17H2,1-5H3/b13-10+.
What are the key properties of (E)-3-ethyl-4-methyl-8-methylsulfinyl-2-propylnon-4-en-1-amine?
(E)-3-ethyl-4-methyl-8-methylsulfinyl-2-propylnon-4-en-1-amine has a molecular weight of 287.51 g/mol, XLogP of 3.88, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-4-methyl-8-methylsulfinyl-2-propylnon-4-en-1-amine is sourced from PubChem (CID 155008146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).