(Z)-N-methyl-4-methylsulfanylhex-4-en-1-amine

C8H17NS — CID 142604435

IUPAC(Z)-N-methyl-4-methylsulfanylhex-4-en-1-amine
SMILESC/C=C(/CCCNC)SC
InChIInChI=1S/C8H17NS/c1-4-8(10-3)6-5-7-9-2/h4,9H,5-7H2,1-3H3/b8-4-
InChIKeyVRFYJOMUBOWXSA-YWEYNIOJSA-N
MW159.30 g/mol
LogP2.25
Rot. Bonds5

About (Z)-N-methyl-4-methylsulfanylhex-4-en-1-amine

(Z)-N-methyl-4-methylsulfanylhex-4-en-1-amine (PubChem CID 142604435) has the molecular formula C8H17NS and a molecular weight of 159.30 g/mol. Its IUPAC name is (Z)-N-methyl-4-methylsulfanylhex-4-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-4-methylsulfanylhex-4-en-1-amine
PubChem CID142604435
Molecular FormulaC8H17NS
Molecular Weight159.30 g/mol
Exact Mass159.11
IUPAC Name(Z)-N-methyl-4-methylsulfanylhex-4-en-1-amine
SMILESC/C=C(/CCCNC)SC
InChIInChI=1S/C8H17NS/c1-4-8(10-3)6-5-7-9-2/h4,9H,5-7H2,1-3H3/b8-4-
InChIKeyVRFYJOMUBOWXSA-YWEYNIOJSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylsulfanylpropyl)pent-4-en-1-amine
CID 64315148
3-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]-N-propylpropan-1-amine
CID 68344038
(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
N-ethyl-2-hex-2-enylsulfanylethanamine
CID 90294734
(Z)-5-tert-butylsulfanyl-N-methylpent-3-en-1-amine
CID 129027035
(Z)-N-(2-methylsulfanylethyl)hept-5-en-1-amine
CID 140598914
N-methyl-2-(4H-thiopyran-2-yl)ethanamine
CID 143283929
(Z)-N,N-dimethyl-4-methylsulfanylhex-4-en-1-amine;ethane
CID 143858939
Ethane;5-methylsulfanyl-1,2,3,6-tetrahydropyridine;prop-1-ene
CID 144168368
ethane;(Z)-N-methyl-5-methylsulfanylpent-3-en-1-amine
CID 144566502
(Z)-N-methyl-2-(methylsulfanylmethyl)pent-2-en-1-amine
CID 146580980

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-4-methylsulfanylhex-4-en-1-amine?
The IUPAC name of (Z)-N-methyl-4-methylsulfanylhex-4-en-1-amine (CID 142604435) is (Z)-N-methyl-4-methylsulfanylhex-4-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-4-methylsulfanylhex-4-en-1-amine?
The canonical SMILES for (Z)-N-methyl-4-methylsulfanylhex-4-en-1-amine is C/C=C(/CCCNC)SC.
What is the InChIKey of (Z)-N-methyl-4-methylsulfanylhex-4-en-1-amine?
The InChIKey is VRFYJOMUBOWXSA-YWEYNIOJSA-N. The full InChI is InChI=1S/C8H17NS/c1-4-8(10-3)6-5-7-9-2/h4,9H,5-7H2,1-3H3/b8-4-.
What are the key properties of (Z)-N-methyl-4-methylsulfanylhex-4-en-1-amine?
(Z)-N-methyl-4-methylsulfanylhex-4-en-1-amine has a molecular weight of 159.30 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-4-methylsulfanylhex-4-en-1-amine is sourced from PubChem (CID 142604435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).