methyl-pentylidene-prop-1-en-2-ylazanium

C9H18N+ — CID 123560999

IUPACmethyl-pentylidene-prop-1-en-2-ylazanium
SMILESC=C(C)/[N+](C)=C/CCCC
InChIInChI=1S/C9H18N/c1-5-6-7-8-10(4)9(2)3/h8H,2,5-7H2,1,3-4H3/q+1/b10-8+
InChIKeyZRZHDNJXBWGIQF-CSKARUKUSA-N
MW140.25 g/mol
LogP2.42
Rot. Bonds4

About methyl-pentylidene-prop-1-en-2-ylazanium

methyl-pentylidene-prop-1-en-2-ylazanium (PubChem CID 123560999) has the molecular formula C9H18N+ and a molecular weight of 140.25 g/mol. Its IUPAC name is methyl-pentylidene-prop-1-en-2-ylazanium.

Molecular Properties

Compound Namemethyl-pentylidene-prop-1-en-2-ylazanium
PubChem CID123560999
Molecular FormulaC9H18N+
Molecular Weight140.25 g/mol
Exact Mass140.14
IUPAC Namemethyl-pentylidene-prop-1-en-2-ylazanium
SMILESC=C(C)/[N+](C)=C/CCCC
InChIInChI=1S/C9H18N/c1-5-6-7-8-10(4)9(2)3/h8H,2,5-7H2,1,3-4H3/q+1/b10-8+
InChIKeyZRZHDNJXBWGIQF-CSKARUKUSA-N
XLogP2.42
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze methyl-pentylidene-prop-1-en-2-ylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dimethyl(pentylidene)azanium
CID 23064047
hex-1-ene;2-methylbut-1-ene
CID 172686626
ethane;hex-1-ene;2-methylprop-1-ene;propane
CID 144528656
2-methylundeca-1,6-diene
CID 173154459
ethane;hexane;2-methylprop-1-ene;propane
CID 145358355
acetic acid;ethene;hex-1-ene
CID 174309563
(Z)-5-prop-1-en-2-ylnon-4-ene
CID 177440529
2-methylprop-2-enoic acid;oct-3-ene
CID 155128147
N-[(Z)-hept-2-en-2-yl]-2-methylprop-2-en-1-imine
CID 167041258
CID 57418783
CID 57418783
2-methylhex-1-ene
CID 158402499
hex-1-ene;zinc
CID 174554611

Frequently Asked Questions

What is the IUPAC name of methyl-pentylidene-prop-1-en-2-ylazanium?
The IUPAC name of methyl-pentylidene-prop-1-en-2-ylazanium (CID 123560999) is methyl-pentylidene-prop-1-en-2-ylazanium.
What is the SMILES notation for methyl-pentylidene-prop-1-en-2-ylazanium?
The canonical SMILES for methyl-pentylidene-prop-1-en-2-ylazanium is C=C(C)/[N+](C)=C/CCCC.
What is the InChIKey of methyl-pentylidene-prop-1-en-2-ylazanium?
The InChIKey is ZRZHDNJXBWGIQF-CSKARUKUSA-N. The full InChI is InChI=1S/C9H18N/c1-5-6-7-8-10(4)9(2)3/h8H,2,5-7H2,1,3-4H3/q+1/b10-8+.
What are the key properties of methyl-pentylidene-prop-1-en-2-ylazanium?
methyl-pentylidene-prop-1-en-2-ylazanium has a molecular weight of 140.25 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-pentylidene-prop-1-en-2-ylazanium is sourced from PubChem (CID 123560999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).