(2-ethyl-2,5-dimethyl-3-methylideneheptyl)-methyl-methylideneazanium

C14H28N+ — CID 123169756

IUPAC(2-ethyl-2,5-dimethyl-3-methylideneheptyl)-methyl-methylideneazanium
SMILESC=C(CC(C)CC)C(C)(CC)C[N+](=C)C
InChIInChI=1S/C14H28N/c1-8-12(3)10-13(4)14(5,9-2)11-15(6)7/h12H,4,6,8-11H2,1-3,5,7H3/q+1
InChIKeySRNGWEWHCGVMAA-UHFFFAOYSA-N
MW210.38 g/mol
LogP3.74
Rot. Bonds7

About (2-ethyl-2,5-dimethyl-3-methylideneheptyl)-methyl-methylideneazanium

(2-ethyl-2,5-dimethyl-3-methylideneheptyl)-methyl-methylideneazanium (PubChem CID 123169756) has the molecular formula C14H28N+ and a molecular weight of 210.38 g/mol. Its IUPAC name is (2-ethyl-2,5-dimethyl-3-methylideneheptyl)-methyl-methylideneazanium.

Molecular Properties

Compound Name(2-ethyl-2,5-dimethyl-3-methylideneheptyl)-methyl-methylideneazanium
PubChem CID123169756
Molecular FormulaC14H28N+
Molecular Weight210.38 g/mol
Exact Mass210.22
IUPAC Name(2-ethyl-2,5-dimethyl-3-methylideneheptyl)-methyl-methylideneazanium
SMILESC=C(CC(C)CC)C(C)(CC)C[N+](=C)C
InChIInChI=1S/C14H28N/c1-8-12(3)10-13(4)14(5,9-2)11-15(6)7/h12H,4,6,8-11H2,1-3,5,7H3/q+1
InChIKeySRNGWEWHCGVMAA-UHFFFAOYSA-N
XLogP3.74
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.38
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dimethyl-3-methylideneheptan-2-yl)phosphane
CID 170214631
2-chloro-4-methylhex-1-ene
CID 15153636
(5E)-2,3,3,4,5,6,8-heptamethyldeca-1,5-diene
CID 20695172
2,6-dimethyl-4-methylideneoctane
CID 12567282
methyl-methylidene-(3-methylpentyl)azanium
CID 123886397
3,6-dimethyl-4-methylideneoctane
CID 91141716
3-hydroxy-3,6-dimethyloctan-4-one
CID 103446752
2-fluoro-5-methyl-3-methylideneheptane
CID 130181565
(Z)-6-ethyl-4,4,6,8-tetramethyl-5-methylidenedec-2-ene;uranium
CID 142054657
[(2R)-butan-2-yl]-methyl-methylideneazanium
CID 148928636
(5S)-5-methyl-3-methylidenehept-1-yne
CID 15744328
4-methyl-2-methylidenehexanamide
CID 87496757

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-2,5-dimethyl-3-methylideneheptyl)-methyl-methylideneazanium?
The IUPAC name of (2-ethyl-2,5-dimethyl-3-methylideneheptyl)-methyl-methylideneazanium (CID 123169756) is (2-ethyl-2,5-dimethyl-3-methylideneheptyl)-methyl-methylideneazanium.
What is the SMILES notation for (2-ethyl-2,5-dimethyl-3-methylideneheptyl)-methyl-methylideneazanium?
The canonical SMILES for (2-ethyl-2,5-dimethyl-3-methylideneheptyl)-methyl-methylideneazanium is C=C(CC(C)CC)C(C)(CC)C[N+](=C)C.
What is the InChIKey of (2-ethyl-2,5-dimethyl-3-methylideneheptyl)-methyl-methylideneazanium?
The InChIKey is SRNGWEWHCGVMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N/c1-8-12(3)10-13(4)14(5,9-2)11-15(6)7/h12H,4,6,8-11H2,1-3,5,7H3/q+1.
What are the key properties of (2-ethyl-2,5-dimethyl-3-methylideneheptyl)-methyl-methylideneazanium?
(2-ethyl-2,5-dimethyl-3-methylideneheptyl)-methyl-methylideneazanium has a molecular weight of 210.38 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-2,5-dimethyl-3-methylideneheptyl)-methyl-methylideneazanium is sourced from PubChem (CID 123169756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).