(3E,5Z)-9-(methylamino)nona-3,5-diene-4-thiol

C10H19NS — CID 142188533

IUPAC(3E,5Z)-9-(methylamino)nona-3,5-diene-4-thiol
SMILESCC/C=C(S)\C=C/CCCNC
InChIInChI=1S/C10H19NS/c1-3-7-10(12)8-5-4-6-9-11-2/h5,7-8,11-12H,3-4,6,9H2,1-2H3/b8-5-,10-7+
InChIKeyVVKKGNSCRAHYSJ-OEPUHGBTSA-N
MW185.34 g/mol
LogP2.77
Rot. Bonds6

About (3E,5Z)-9-(methylamino)nona-3,5-diene-4-thiol

(3E,5Z)-9-(methylamino)nona-3,5-diene-4-thiol (PubChem CID 142188533) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is (3E,5Z)-9-(methylamino)nona-3,5-diene-4-thiol.

Molecular Properties

Compound Name(3E,5Z)-9-(methylamino)nona-3,5-diene-4-thiol
PubChem CID142188533
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name(3E,5Z)-9-(methylamino)nona-3,5-diene-4-thiol
SMILESCC/C=C(S)\C=C/CCCNC
InChIInChI=1S/C10H19NS/c1-3-7-10(12)8-5-4-6-9-11-2/h5,7-8,11-12H,3-4,6,9H2,1-2H3/b8-5-,10-7+
InChIKeyVVKKGNSCRAHYSJ-OEPUHGBTSA-N
XLogP2.77
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-methylhept-4-en-1-amine
CID 122695118
(3E)-4-methyldeca-3,5-diene
CID 173452678
N,5-dimethylhex-4-en-1-amine;ethane
CID 145111229
N-methyloct-3-en-1-amine
CID 79592255
(1Z,3E)-N,2-dimethylocta-1,3-dien-1-amine
CID 138648930
4-(methylamino)butanal;N-methylbutan-1-amine
CID 143130066
(E)-N-methyloct-6-en-1-amine
CID 55287936
N-methyloctadeca-9,12-dien-1-amine
CID 72503072
(3Z,5Z)-8-(methylamino)octa-3,5-diene-3,4-diol
CID 143279731
4-cyclopropylidene-N-methylbutan-1-amine
CID 148973354
N,7-dimethylnon-5-en-1-amine
CID 166916633
(9Z,12Z)-N-methyloctadeca-9,12-dien-1-amine;hydrochloride
CID 175800296

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-9-(methylamino)nona-3,5-diene-4-thiol?
The IUPAC name of (3E,5Z)-9-(methylamino)nona-3,5-diene-4-thiol (CID 142188533) is (3E,5Z)-9-(methylamino)nona-3,5-diene-4-thiol.
What is the SMILES notation for (3E,5Z)-9-(methylamino)nona-3,5-diene-4-thiol?
The canonical SMILES for (3E,5Z)-9-(methylamino)nona-3,5-diene-4-thiol is CC/C=C(S)\C=C/CCCNC.
What is the InChIKey of (3E,5Z)-9-(methylamino)nona-3,5-diene-4-thiol?
The InChIKey is VVKKGNSCRAHYSJ-OEPUHGBTSA-N. The full InChI is InChI=1S/C10H19NS/c1-3-7-10(12)8-5-4-6-9-11-2/h5,7-8,11-12H,3-4,6,9H2,1-2H3/b8-5-,10-7+.
What are the key properties of (3E,5Z)-9-(methylamino)nona-3,5-diene-4-thiol?
(3E,5Z)-9-(methylamino)nona-3,5-diene-4-thiol has a molecular weight of 185.34 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-9-(methylamino)nona-3,5-diene-4-thiol is sourced from PubChem (CID 142188533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).