4-methylhexyl-methylidene-prop-1-en-2-ylazanium

C11H22N+ — CID 174272799

IUPAC4-methylhexyl-methylidene-prop-1-en-2-ylazanium
SMILESC=C(C)[N+](=C)CCCC(C)CC
InChIInChI=1S/C11H22N/c1-6-11(4)8-7-9-12(5)10(2)3/h11H,2,5-9H2,1,3-4H3/q+1
InChIKeyBSCOEGXQMUSPTB-UHFFFAOYSA-N
MW168.30 g/mol
LogP3.06
Rot. Bonds6

About 4-methylhexyl-methylidene-prop-1-en-2-ylazanium

4-methylhexyl-methylidene-prop-1-en-2-ylazanium (PubChem CID 174272799) has the molecular formula C11H22N+ and a molecular weight of 168.30 g/mol. Its IUPAC name is 4-methylhexyl-methylidene-prop-1-en-2-ylazanium.

Molecular Properties

Compound Name4-methylhexyl-methylidene-prop-1-en-2-ylazanium
PubChem CID174272799
Molecular FormulaC11H22N+
Molecular Weight168.30 g/mol
Exact Mass168.17
IUPAC Name4-methylhexyl-methylidene-prop-1-en-2-ylazanium
SMILESC=C(C)[N+](=C)CCCC(C)CC
InChIInChI=1S/C11H22N/c1-6-11(4)8-7-9-12(5)10(2)3/h11H,2,5-9H2,1,3-4H3/q+1
InChIKeyBSCOEGXQMUSPTB-UHFFFAOYSA-N
XLogP3.06
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.06
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'}

Analyze 4-methylhexyl-methylidene-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

2,7-dimethylnon-1-ene
CID 123682074
(3R,7R)-3,7-dimethylnonane
CID 42626759
3-methylhexane;2-methylprop-1-ene
CID 165405684
methyl-methylidene-(3-methylpentyl)azanium
CID 123886397
ethane;3-methylheptane;propan-2-imine
CID 142132474
3,8-dimethyl-4-methylidenedecane
CID 177054037
ethyl-methylidene-prop-1-en-2-ylazanium
CID 123887458
7-methyl-N-(2-methylprop-2-enyl)nonan-1-amine
CID 175620901
magnesium;3-methyloctane;dibromide
CID 174825221
magnesium;2,6-dimethyloctane;dibromide
CID 175146229
2,18-dimethyl-3-methylideneicosane
CID 123398512
3,7-dimethylnona-1,2-diene
CID 123384763

Frequently Asked Questions

What is the IUPAC name of 4-methylhexyl-methylidene-prop-1-en-2-ylazanium?
The IUPAC name of 4-methylhexyl-methylidene-prop-1-en-2-ylazanium (CID 174272799) is 4-methylhexyl-methylidene-prop-1-en-2-ylazanium.
What is the SMILES notation for 4-methylhexyl-methylidene-prop-1-en-2-ylazanium?
The canonical SMILES for 4-methylhexyl-methylidene-prop-1-en-2-ylazanium is C=C(C)[N+](=C)CCCC(C)CC.
What is the InChIKey of 4-methylhexyl-methylidene-prop-1-en-2-ylazanium?
The InChIKey is BSCOEGXQMUSPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N/c1-6-11(4)8-7-9-12(5)10(2)3/h11H,2,5-9H2,1,3-4H3/q+1.
What are the key properties of 4-methylhexyl-methylidene-prop-1-en-2-ylazanium?
4-methylhexyl-methylidene-prop-1-en-2-ylazanium has a molecular weight of 168.30 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylhexyl-methylidene-prop-1-en-2-ylazanium is sourced from PubChem (CID 174272799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).