methyl-[(Z)-4-methylundec-4-en-6-ylidene]azanium

C13H26N+ — CID 153404287

IUPACmethyl-[(Z)-4-methylundec-4-en-6-ylidene]azanium
SMILESCCCCCC(/C=C(/C)CCC)=[NH+]\C
InChIInChI=1S/C13H25N/c1-5-7-8-10-13(14-4)11-12(3)9-6-2/h11H,5-10H2,1-4H3/p+1/b12-11-,14-13+
InChIKeyXICZHBNVKPRZMX-RCWDKCQFSA-O
MW196.36 g/mol
LogP2.46
Rot. Bonds7

About methyl-[(Z)-4-methylundec-4-en-6-ylidene]azanium

methyl-[(Z)-4-methylundec-4-en-6-ylidene]azanium (PubChem CID 153404287) has the molecular formula C13H26N+ and a molecular weight of 196.36 g/mol. Its IUPAC name is methyl-[(Z)-4-methylundec-4-en-6-ylidene]azanium.

Molecular Properties

Compound Namemethyl-[(Z)-4-methylundec-4-en-6-ylidene]azanium
PubChem CID153404287
Molecular FormulaC13H26N+
Molecular Weight196.36 g/mol
Exact Mass196.21
IUPAC Namemethyl-[(Z)-4-methylundec-4-en-6-ylidene]azanium
SMILESCCCCCC(/C=C(/C)CCC)=[NH+]\C
InChIInChI=1S/C13H25N/c1-5-7-8-10-13(14-4)11-12(3)9-6-2/h11H,5-10H2,1-4H3/p+1/b12-11-,14-13+
InChIKeyXICZHBNVKPRZMX-RCWDKCQFSA-O
XLogP2.46
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-methyldodec-3-en-2-one
CID 19609505
4-methylundec-3-en-2-one
CID 103970939
(Z)-4-methylundec-3-en-2-one
CID 121464257
(6E,8E)-6,9-dimethyltetradeca-6,8-diene
CID 16741365
(Z)-12-methylhenicos-11-en-10-one
CID 122379193
(E)-3-methylnonadec-2-ene
CID 23160392
(4E)-2,3,5-trimethylocta-2,4-diene
CID 144603275
2-methylhept-1-en-1-ol
CID 141483452
3-methyldec-2-ene
CID 550799
(E)-3-methyltridec-2-ene
CID 22000795
methyl (Z)-3-methyloct-2-enoate
CID 14332772
3-methylpentadec-2-enamide
CID 174903366

Frequently Asked Questions

What is the IUPAC name of methyl-[(Z)-4-methylundec-4-en-6-ylidene]azanium?
The IUPAC name of methyl-[(Z)-4-methylundec-4-en-6-ylidene]azanium (CID 153404287) is methyl-[(Z)-4-methylundec-4-en-6-ylidene]azanium.
What is the SMILES notation for methyl-[(Z)-4-methylundec-4-en-6-ylidene]azanium?
The canonical SMILES for methyl-[(Z)-4-methylundec-4-en-6-ylidene]azanium is CCCCCC(/C=C(/C)CCC)=[NH+]\C.
What is the InChIKey of methyl-[(Z)-4-methylundec-4-en-6-ylidene]azanium?
The InChIKey is XICZHBNVKPRZMX-RCWDKCQFSA-O. The full InChI is InChI=1S/C13H25N/c1-5-7-8-10-13(14-4)11-12(3)9-6-2/h11H,5-10H2,1-4H3/p+1/b12-11-,14-13+.
What are the key properties of methyl-[(Z)-4-methylundec-4-en-6-ylidene]azanium?
methyl-[(Z)-4-methylundec-4-en-6-ylidene]azanium has a molecular weight of 196.36 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(Z)-4-methylundec-4-en-6-ylidene]azanium is sourced from PubChem (CID 153404287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).