methylidyne-[6-methyl-4-(methylamino)oct-3-en-2-yl]azanium

C11H21N2+ — CID 123183777

IUPACmethylidyne-[6-methyl-4-(methylamino)oct-3-en-2-yl]azanium
SMILESC#[N+]C(C)C=C(CC(C)CC)NC
InChIInChI=1S/C11H21N2/c1-6-9(2)7-11(13-5)8-10(3)12-4/h4,8-10,13H,6-7H2,1-3,5H3/q+1
InChIKeyBAJARZBZOUAYHJ-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.88
Rot. Bonds5

About methylidyne-[6-methyl-4-(methylamino)oct-3-en-2-yl]azanium

methylidyne-[6-methyl-4-(methylamino)oct-3-en-2-yl]azanium (PubChem CID 123183777) has the molecular formula C11H21N2+ and a molecular weight of 181.30 g/mol. Its IUPAC name is methylidyne-[6-methyl-4-(methylamino)oct-3-en-2-yl]azanium.

Molecular Properties

Compound Namemethylidyne-[6-methyl-4-(methylamino)oct-3-en-2-yl]azanium
PubChem CID123183777
Molecular FormulaC11H21N2+
Molecular Weight181.30 g/mol
Exact Mass181.17
IUPAC Namemethylidyne-[6-methyl-4-(methylamino)oct-3-en-2-yl]azanium
SMILESC#[N+]C(C)C=C(CC(C)CC)NC
InChIInChI=1S/C11H21N2/c1-6-9(2)7-11(13-5)8-10(3)12-4/h4,8-10,13H,6-7H2,1-3,5H3/q+1
InChIKeyBAJARZBZOUAYHJ-UHFFFAOYSA-N
XLogP2.88
TPSA16.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 53951029
4-Ethyl-6-propan-2-yl-1,2,3,4-tetrahydropyridine
CID 68341261
1-Ethyl-3-methylpentyl-p-phenylenediamine
CID 86736227
3,6-dimethyl-2-[(Z)-prop-1-enyl]-1,2,3,6-tetrahydropyridin-4-amine
CID 89038997
N-(3-methylbutan-2-yl)cyclohexen-1-amine
CID 89105858
(E)-2-methyl-3-N-[5-(methylamino)pentyl]oct-3-ene-3,6-diamine
CID 89209342
(E,6S)-N,6-dimethyloct-2-en-3-amine
CID 89209438
(3Z,4S)-N-butyl-3-ethylidene-4-methylhex-1-en-2-amine
CID 89372754
5-Methyl-4-(methylaminomethyl)cyclohexa-1,3-dien-1-amine
CID 89395028
(E)-1-cyclopropyl-1-N-methylbut-2-ene-1,3-diamine
CID 90243487
(7E)-2-ethenyl-7-ethylidene-6-propyl-1,2,3,6-tetrahydroazepine
CID 118331752

Frequently Asked Questions

What is the IUPAC name of methylidyne-[6-methyl-4-(methylamino)oct-3-en-2-yl]azanium?
The IUPAC name of methylidyne-[6-methyl-4-(methylamino)oct-3-en-2-yl]azanium (CID 123183777) is methylidyne-[6-methyl-4-(methylamino)oct-3-en-2-yl]azanium.
What is the SMILES notation for methylidyne-[6-methyl-4-(methylamino)oct-3-en-2-yl]azanium?
The canonical SMILES for methylidyne-[6-methyl-4-(methylamino)oct-3-en-2-yl]azanium is C#[N+]C(C)C=C(CC(C)CC)NC.
What is the InChIKey of methylidyne-[6-methyl-4-(methylamino)oct-3-en-2-yl]azanium?
The InChIKey is BAJARZBZOUAYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N2/c1-6-9(2)7-11(13-5)8-10(3)12-4/h4,8-10,13H,6-7H2,1-3,5H3/q+1.
What are the key properties of methylidyne-[6-methyl-4-(methylamino)oct-3-en-2-yl]azanium?
methylidyne-[6-methyl-4-(methylamino)oct-3-en-2-yl]azanium has a molecular weight of 181.30 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methylidyne-[6-methyl-4-(methylamino)oct-3-en-2-yl]azanium is sourced from PubChem (CID 123183777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).