methyl-methylidene-[(Z)-2-methylpent-1-enyl]azanium

C8H16N+ — CID 142029528

IUPACmethyl-methylidene-[(Z)-2-methylpent-1-enyl]azanium
SMILESC=[N+](C)/C=C(/C)CCC
InChIInChI=1S/C8H16N/c1-5-6-8(2)7-9(3)4/h7H,3,5-6H2,1-2,4H3/q+1/b8-7-
InChIKeyJEBWMENGHQERQP-FPLPWBNLSA-N
MW126.22 g/mol
LogP2.03
Rot. Bonds3

About methyl-methylidene-[(Z)-2-methylpent-1-enyl]azanium

methyl-methylidene-[(Z)-2-methylpent-1-enyl]azanium (PubChem CID 142029528) has the molecular formula C8H16N+ and a molecular weight of 126.22 g/mol. Its IUPAC name is methyl-methylidene-[(Z)-2-methylpent-1-enyl]azanium.

Molecular Properties

Compound Namemethyl-methylidene-[(Z)-2-methylpent-1-enyl]azanium
PubChem CID142029528
Molecular FormulaC8H16N+
Molecular Weight126.22 g/mol
Exact Mass126.13
IUPAC Namemethyl-methylidene-[(Z)-2-methylpent-1-enyl]azanium
SMILESC=[N+](C)/C=C(/C)CCC
InChIInChI=1S/C8H16N/c1-5-6-8(2)7-9(3)4/h7H,3,5-6H2,1-2,4H3/q+1/b8-7-
InChIKeyJEBWMENGHQERQP-FPLPWBNLSA-N
XLogP2.03
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-2-methylpent-1-enyl]methanimine
CID 142044769
1-iodo-2-methylpent-1-ene
CID 73232688
2-methyl-1-(2-methylpent-1-enyldisulfanyl)pent-1-ene
CID 175555923
4-methyl-7-methylidenedec-4-ene
CID 173283032
(4E)-2,3,5-trimethylocta-2,4-diene
CID 144603275
actinium;bis(3-methylhex-2-en-1-ol)
CID 160943648
2-methyl-1-(2-methylpent-1-enylsulfonyl)pent-1-ene
CID 57106864
(E)-N,N-diethyl-2-methylpent-1-en-1-amine
CID 15094783
(6E)-2,7-dimethyldeca-1,6-diene
CID 173073155
2-methyl-N-prop-2-enylpent-1-en-1-amine
CID 174914836
(E)-2,5-dimethyloct-4-ene
CID 173056267
(3E)-4,8-dimethylundeca-1,3,7-triene
CID 172676180

Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-[(Z)-2-methylpent-1-enyl]azanium?
The IUPAC name of methyl-methylidene-[(Z)-2-methylpent-1-enyl]azanium (CID 142029528) is methyl-methylidene-[(Z)-2-methylpent-1-enyl]azanium.
What is the SMILES notation for methyl-methylidene-[(Z)-2-methylpent-1-enyl]azanium?
The canonical SMILES for methyl-methylidene-[(Z)-2-methylpent-1-enyl]azanium is C=[N+](C)/C=C(/C)CCC.
What is the InChIKey of methyl-methylidene-[(Z)-2-methylpent-1-enyl]azanium?
The InChIKey is JEBWMENGHQERQP-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H16N/c1-5-6-8(2)7-9(3)4/h7H,3,5-6H2,1-2,4H3/q+1/b8-7-.
What are the key properties of methyl-methylidene-[(Z)-2-methylpent-1-enyl]azanium?
methyl-methylidene-[(Z)-2-methylpent-1-enyl]azanium has a molecular weight of 126.22 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-[(Z)-2-methylpent-1-enyl]azanium is sourced from PubChem (CID 142029528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).