methyl-[(1R)-4-methylcyclohex-3-en-1-yl]-(4-methylpent-3-enyl)azanium

C14H26N+ — CID 5289326

IUPACmethyl-[(1R)-4-methylcyclohex-3-en-1-yl]-(4-methylpent-3-enyl)azanium
SMILESCC(C)=CCC[NH+](C)[C@H]1CC=C(C)CC1
InChIInChI=1S/C14H25N/c1-12(2)6-5-11-15(4)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11H2,1-4H3/p+1/t14-/m0/s1
InChIKeyGGPFTSMJRHEOJG-AWEZNQCLSA-O
MW208.37 g/mol
LogP2.36
Rot. Bonds4

About methyl-[(1R)-4-methylcyclohex-3-en-1-yl]-(4-methylpent-3-enyl)azanium

methyl-[(1R)-4-methylcyclohex-3-en-1-yl]-(4-methylpent-3-enyl)azanium (PubChem CID 5289326) has the molecular formula C14H26N+ and a molecular weight of 208.37 g/mol. Its IUPAC name is methyl-[(1R)-4-methylcyclohex-3-en-1-yl]-(4-methylpent-3-enyl)azanium.

Molecular Properties

Compound Namemethyl-[(1R)-4-methylcyclohex-3-en-1-yl]-(4-methylpent-3-enyl)azanium
PubChem CID5289326
Molecular FormulaC14H26N+
Molecular Weight208.37 g/mol
Exact Mass208.21
IUPAC Namemethyl-[(1R)-4-methylcyclohex-3-en-1-yl]-(4-methylpent-3-enyl)azanium
SMILESCC(C)=CCC[NH+](C)[C@H]1CC=C(C)CC1
InChIInChI=1S/C14H25N/c1-12(2)6-5-11-15(4)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11H2,1-4H3/p+1/t14-/m0/s1
InChIKeyGGPFTSMJRHEOJG-AWEZNQCLSA-O
XLogP2.36
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-[(1R)-4-methylcyclohex-3-en-1-yl]-(4-methylpent-3-enyl)azanium?
The IUPAC name of methyl-[(1R)-4-methylcyclohex-3-en-1-yl]-(4-methylpent-3-enyl)azanium (CID 5289326) is methyl-[(1R)-4-methylcyclohex-3-en-1-yl]-(4-methylpent-3-enyl)azanium.
What is the SMILES notation for methyl-[(1R)-4-methylcyclohex-3-en-1-yl]-(4-methylpent-3-enyl)azanium?
The canonical SMILES for methyl-[(1R)-4-methylcyclohex-3-en-1-yl]-(4-methylpent-3-enyl)azanium is CC(C)=CCC[NH+](C)[C@H]1CC=C(C)CC1.
What is the InChIKey of methyl-[(1R)-4-methylcyclohex-3-en-1-yl]-(4-methylpent-3-enyl)azanium?
The InChIKey is GGPFTSMJRHEOJG-AWEZNQCLSA-O. The full InChI is InChI=1S/C14H25N/c1-12(2)6-5-11-15(4)14-9-7-13(3)8-10-14/h6-7,14H,5,8-11H2,1-4H3/p+1/t14-/m0/s1.
What are the key properties of methyl-[(1R)-4-methylcyclohex-3-en-1-yl]-(4-methylpent-3-enyl)azanium?
methyl-[(1R)-4-methylcyclohex-3-en-1-yl]-(4-methylpent-3-enyl)azanium has a molecular weight of 208.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(1R)-4-methylcyclohex-3-en-1-yl]-(4-methylpent-3-enyl)azanium is sourced from PubChem (CID 5289326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).