ethane;(Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine

C11H27NS — CID 144566502

IUPACethane;(Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine
SMILESCC.CC.CNCC/C=C\CSC
InChIInChI=1S/C7H15NS.2C2H6/c1-8-6-4-3-5-7-9-2;2*1-2/h3,5,8H,4,6-7H2,1-2H3;2*1-2H3/b5-3-;;
InChIKeyLXFDQMBOVCFNLB-ORIPCLHRSA-N
MW205.41 g/mol
LogP3.57
Rot. Bonds5

About ethane;(Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine

ethane;(Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine (PubChem CID 144566502) has the molecular formula C11H27NS and a molecular weight of 205.41 g/mol. Its IUPAC name is ethane;(Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine.

Molecular Properties

Compound Nameethane;(Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine
PubChem CID144566502
Molecular FormulaC11H27NS
Molecular Weight205.41 g/mol
Exact Mass205.19
IUPAC Nameethane;(Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine
SMILESCC.CC.CNCC/C=C\CSC
InChIInChI=1S/C7H15NS.2C2H6/c1-8-6-4-3-5-7-9-2;2*1-2/h3,5,8H,4,6-7H2,1-2H3;2*1-2H3/b5-3-;;
InChIKeyLXFDQMBOVCFNLB-ORIPCLHRSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(trifluoromethylsulfanyl)ethyl]pent-3-en-1-amine
CID 116615771
N-(3-methylsulfanylpropyl)but-3-en-1-amine
CID 57591259
3-[(E)-pent-3-enyl]sulfanylpropan-1-amine
CID 58684767
N-(2-methylsulfanylethyl)but-3-en-1-amine
CID 64314910
2-(2,3-dihydrothiophen-5-yl)-N-methylethanamine
CID 68333587
3-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]-N-propylpropan-1-amine
CID 68344038
3-Pent-3-enylsulfanylpropan-1-amine
CID 72391269
7-Methyl-2,3,4,5-tetrahydro-1,3-thiazepine
CID 89101930
(6Z,9R)-2,9-dimethyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine
CID 89340268
(Z)-N-[(1R)-1-ethenylsulfanylethyl]pent-3-en-1-amine
CID 89340441
(2R,6Z)-2-methyl-2,3,4,5,8,9-hexahydro-1,3-thiazonine
CID 89343193
N-ethyl-2-hex-2-enylsulfanylethanamine
CID 90294734

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine?
The IUPAC name of ethane;(Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine (CID 144566502) is ethane;(Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine.
What is the SMILES notation for ethane;(Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine?
The canonical SMILES for ethane;(Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine is CC.CC.CNCC/C=C\CSC.
What is the InChIKey of ethane;(Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine?
The InChIKey is LXFDQMBOVCFNLB-ORIPCLHRSA-N. The full InChI is InChI=1S/C7H15NS.2C2H6/c1-8-6-4-3-5-7-9-2;2*1-2/h3,5,8H,4,6-7H2,1-2H3;2*1-2H3/b5-3-;;.
What are the key properties of ethane;(Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine?
ethane;(Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine has a molecular weight of 205.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine is sourced from PubChem (CID 144566502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).