dimethyl(6-methylhept-2-en-3-ylimino)azanium

C10H21N2+ — CID 91326574

IUPACdimethyl(6-methylhept-2-en-3-ylimino)azanium
SMILESCC=C(CCC(C)C)N=[N+](C)C
InChIInChI=1S/C10H21N2/c1-6-10(11-12(4)5)8-7-9(2)3/h6,9H,7-8H2,1-5H3/q+1
InChIKeyCPNMYYDBGLNBKD-UHFFFAOYSA-N
MW169.29 g/mol
LogP3.05
Rot. Bonds4

About dimethyl(6-methylhept-2-en-3-ylimino)azanium

dimethyl(6-methylhept-2-en-3-ylimino)azanium (PubChem CID 91326574) has the molecular formula C10H21N2+ and a molecular weight of 169.29 g/mol. Its IUPAC name is dimethyl(6-methylhept-2-en-3-ylimino)azanium.

Molecular Properties

Compound Namedimethyl(6-methylhept-2-en-3-ylimino)azanium
PubChem CID91326574
Molecular FormulaC10H21N2+
Molecular Weight169.29 g/mol
Exact Mass169.17
IUPAC Namedimethyl(6-methylhept-2-en-3-ylimino)azanium
SMILESCC=C(CCC(C)C)N=[N+](C)C
InChIInChI=1S/C10H21N2/c1-6-10(11-12(4)5)8-7-9(2)3/h6,9H,7-8H2,1-5H3/q+1
InChIKeyCPNMYYDBGLNBKD-UHFFFAOYSA-N
XLogP3.05
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Lithium dimethylamino-(5-methylcyclopenten-1-yl)azanide
CID 15122455
Lithium dimethylamino-(6-methylcyclohexen-1-yl)azanide
CID 15122495
5-(4-methylpentyl)-3H-pyrazole
CID 89419461
[(Z)-5,6-dimethylhept-2-en-3-yl]-methylazanide
CID 90870092
[(E)-8-methylnon-3-en-4-yl]diazene
CID 118074628
N,N,7-trimethyloct-3-en-4-amine
CID 123151123
N,N,6-trimethylhept-2-en-3-amine
CID 123289921
But-3-en-2-ylimino-methyl-(6-methylocta-2,7-dien-2-yl)azanium
CID 123507402
Methyl(5-methylhex-1-en-2-yl)diazene
CID 126626156
3-(3-methylbutyl)-5-(4-methylpentyl)-3H-pyrazole
CID 155337274
3,5-bis(3-methylbutyl)-3H-pyrazole
CID 155337275
5-(4-methylpentyl)-3-(2-methylpropyl)-3H-pyrazole
CID 155337282

Frequently Asked Questions

What is the IUPAC name of dimethyl(6-methylhept-2-en-3-ylimino)azanium?
The IUPAC name of dimethyl(6-methylhept-2-en-3-ylimino)azanium (CID 91326574) is dimethyl(6-methylhept-2-en-3-ylimino)azanium.
What is the SMILES notation for dimethyl(6-methylhept-2-en-3-ylimino)azanium?
The canonical SMILES for dimethyl(6-methylhept-2-en-3-ylimino)azanium is CC=C(CCC(C)C)N=[N+](C)C.
What is the InChIKey of dimethyl(6-methylhept-2-en-3-ylimino)azanium?
The InChIKey is CPNMYYDBGLNBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2/c1-6-10(11-12(4)5)8-7-9(2)3/h6,9H,7-8H2,1-5H3/q+1.
What are the key properties of dimethyl(6-methylhept-2-en-3-ylimino)azanium?
dimethyl(6-methylhept-2-en-3-ylimino)azanium has a molecular weight of 169.29 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(6-methylhept-2-en-3-ylimino)azanium is sourced from PubChem (CID 91326574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).