dimethyl-(4-methyl-3-methylidenepentan-2-ylidene)azanium

C9H18N+ — CID 123930060

IUPACdimethyl-(4-methyl-3-methylidenepentan-2-ylidene)azanium
SMILESC=C(C(C)=[N+](C)C)C(C)C
InChIInChI=1S/C9H18N/c1-7(2)8(3)9(4)10(5)6/h7H,3H2,1-2,4-6H3/q+1
InChIKeyNSKRMZXIYAJILL-UHFFFAOYSA-N
MW140.25 g/mol
LogP1.93
Rot. Bonds2

About dimethyl-(4-methyl-3-methylidenepentan-2-ylidene)azanium

dimethyl-(4-methyl-3-methylidenepentan-2-ylidene)azanium (PubChem CID 123930060) has the molecular formula C9H18N+ and a molecular weight of 140.25 g/mol. Its IUPAC name is dimethyl-(4-methyl-3-methylidenepentan-2-ylidene)azanium.

Molecular Properties

Compound Namedimethyl-(4-methyl-3-methylidenepentan-2-ylidene)azanium
PubChem CID123930060
Molecular FormulaC9H18N+
Molecular Weight140.25 g/mol
Exact Mass140.14
IUPAC Namedimethyl-(4-methyl-3-methylidenepentan-2-ylidene)azanium
SMILESC=C(C(C)=[N+](C)C)C(C)C
InChIInChI=1S/C9H18N/c1-7(2)8(3)9(4)10(5)6/h7H,3H2,1-2,4-6H3/q+1
InChIKeyNSKRMZXIYAJILL-UHFFFAOYSA-N
XLogP1.93
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 51.93
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,2,5-trimethyl-4-methylidenehexan-3-imine
CID 91017057
4-methyl-3-methylidene-N-(4-methylpentyl)pentan-2-imine
CID 123518939
N,4-dimethyl-3-methylidenepentan-2-imine
CID 129212960
N-ethyl-2-methyl-4-methylidenehexan-3-imine
CID 156144896
N-but-1-en-2-yl-4-methyl-3-methylidenepentan-2-imine
CID 156641461
Dimethyl(5-methylhex-5-en-3-ylidene)azanium
CID 164178625
ethane;(Z)-N-methyl-3-propan-2-ylpent-3-en-2-imine
CID 176699215
(Z)-N-methyl-3-propan-2-ylpent-3-en-2-imine
CID 176699216

Frequently Asked Questions

What is the IUPAC name of dimethyl-(4-methyl-3-methylidenepentan-2-ylidene)azanium?
The IUPAC name of dimethyl-(4-methyl-3-methylidenepentan-2-ylidene)azanium (CID 123930060) is dimethyl-(4-methyl-3-methylidenepentan-2-ylidene)azanium.
What is the SMILES notation for dimethyl-(4-methyl-3-methylidenepentan-2-ylidene)azanium?
The canonical SMILES for dimethyl-(4-methyl-3-methylidenepentan-2-ylidene)azanium is C=C(C(C)=[N+](C)C)C(C)C.
What is the InChIKey of dimethyl-(4-methyl-3-methylidenepentan-2-ylidene)azanium?
The InChIKey is NSKRMZXIYAJILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N/c1-7(2)8(3)9(4)10(5)6/h7H,3H2,1-2,4-6H3/q+1.
What are the key properties of dimethyl-(4-methyl-3-methylidenepentan-2-ylidene)azanium?
dimethyl-(4-methyl-3-methylidenepentan-2-ylidene)azanium has a molecular weight of 140.25 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(4-methyl-3-methylidenepentan-2-ylidene)azanium is sourced from PubChem (CID 123930060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).