methyl-[(E)-3-methylpent-3-en-2-ylidene]azanium

C7H14N+ — CID 139212201

IUPACmethyl-[(E)-3-methylpent-3-en-2-ylidene]azanium
SMILESC/C=C(C)/C(C)=[NH+]/C
InChIInChI=1S/C7H13N/c1-5-6(2)7(3)8-4/h5H,1-4H3/p+1/b6-5+,8-7+
InChIKeyUNZBVAYOXJXDLI-BSWSSELBSA-O
MW112.20 g/mol
LogP0.12
Rot. Bonds1

About methyl-[(E)-3-methylpent-3-en-2-ylidene]azanium

methyl-[(E)-3-methylpent-3-en-2-ylidene]azanium (PubChem CID 139212201) has the molecular formula C7H14N+ and a molecular weight of 112.20 g/mol. Its IUPAC name is methyl-[(E)-3-methylpent-3-en-2-ylidene]azanium.

Molecular Properties

Compound Namemethyl-[(E)-3-methylpent-3-en-2-ylidene]azanium
PubChem CID139212201
Molecular FormulaC7H14N+
Molecular Weight112.20 g/mol
Exact Mass112.11
IUPAC Namemethyl-[(E)-3-methylpent-3-en-2-ylidene]azanium
SMILESC/C=C(C)/C(C)=[NH+]/C
InChIInChI=1S/C7H13N/c1-5-6(2)7(3)8-4/h5H,1-4H3/p+1/b6-5+,8-7+
InChIKeyUNZBVAYOXJXDLI-BSWSSELBSA-O
XLogP0.12
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.20
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

methyl-[(Z)-3-methylpent-3-en-2-ylidene]azanium
CID 139212202
3-Methylpent-3-en-2-imine
CID 15835473
N,4-dimethylpent-3-en-2-imine
CID 20725565
(E)-3-methylpent-3-en-2-imine
CID 22944994
(4-methyl-2H-pyrrol-5-yl)methanamine
CID 57746114
5,6-Dimethyl-2,3-dihydropyridine
CID 57840662
(Z)-N,3-dimethylpent-3-en-2-imine
CID 58274132
(E)-N,3-dimethylpent-3-en-2-imine
CID 58796719
N,3-dimethylpent-3-en-2-imine
CID 58898687
N,3-dimethylhepta-3,6-dien-2-imine
CID 123241993
(Z)-3-methylpent-3-en-2-imine
CID 123448803
N-ethyl-3-methylpent-3-en-2-imine
CID 123466297

Frequently Asked Questions

What is the IUPAC name of methyl-[(E)-3-methylpent-3-en-2-ylidene]azanium?
The IUPAC name of methyl-[(E)-3-methylpent-3-en-2-ylidene]azanium (CID 139212201) is methyl-[(E)-3-methylpent-3-en-2-ylidene]azanium.
What is the SMILES notation for methyl-[(E)-3-methylpent-3-en-2-ylidene]azanium?
The canonical SMILES for methyl-[(E)-3-methylpent-3-en-2-ylidene]azanium is C/C=C(C)/C(C)=[NH+]/C.
What is the InChIKey of methyl-[(E)-3-methylpent-3-en-2-ylidene]azanium?
The InChIKey is UNZBVAYOXJXDLI-BSWSSELBSA-O. The full InChI is InChI=1S/C7H13N/c1-5-6(2)7(3)8-4/h5H,1-4H3/p+1/b6-5+,8-7+.
What are the key properties of methyl-[(E)-3-methylpent-3-en-2-ylidene]azanium?
methyl-[(E)-3-methylpent-3-en-2-ylidene]azanium has a molecular weight of 112.20 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(E)-3-methylpent-3-en-2-ylidene]azanium is sourced from PubChem (CID 139212201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).