dimethyl-prop-2-enyl-[4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium

C18H32N+ — CID 54537776

IUPACdimethyl-prop-2-enyl-[4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium
SMILESC=CC[N+](C)(C)C(C)C=CC1C(C)=CCCC1(C)C
InChIInChI=1S/C18H32N/c1-8-14-19(6,7)16(3)11-12-17-15(2)10-9-13-18(17,4)5/h8,10-12,16-17H,1,9,13-14H2,2-7H3/q+1
InChIKeyZBAAGGMTFJOGKU-UHFFFAOYSA-N
MW262.46 g/mol
LogP4.58
Rot. Bonds5

About dimethyl-prop-2-enyl-[4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium

dimethyl-prop-2-enyl-[4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium (PubChem CID 54537776) has the molecular formula C18H32N+ and a molecular weight of 262.46 g/mol. Its IUPAC name is dimethyl-prop-2-enyl-[4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium.

Molecular Properties

Compound Namedimethyl-prop-2-enyl-[4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium
PubChem CID54537776
Molecular FormulaC18H32N+
Molecular Weight262.46 g/mol
Exact Mass262.25
IUPAC Namedimethyl-prop-2-enyl-[4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium
SMILESC=CC[N+](C)(C)C(C)C=CC1C(C)=CCCC1(C)C
InChIInChI=1S/C18H32N/c1-8-14-19(6,7)16(3)11-12-17-15(2)10-9-13-18(17,4)5/h8,10-12,16-17H,1,9,13-14H2,2-7H3/q+1
InChIKeyZBAAGGMTFJOGKU-UHFFFAOYSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.46
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-prop-2-enyl-[4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium?
The IUPAC name of dimethyl-prop-2-enyl-[4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium (CID 54537776) is dimethyl-prop-2-enyl-[4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium.
What is the SMILES notation for dimethyl-prop-2-enyl-[4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium?
The canonical SMILES for dimethyl-prop-2-enyl-[4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium is C=CC[N+](C)(C)C(C)C=CC1C(C)=CCCC1(C)C.
What is the InChIKey of dimethyl-prop-2-enyl-[4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium?
The InChIKey is ZBAAGGMTFJOGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N/c1-8-14-19(6,7)16(3)11-12-17-15(2)10-9-13-18(17,4)5/h8,10-12,16-17H,1,9,13-14H2,2-7H3/q+1.
What are the key properties of dimethyl-prop-2-enyl-[4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium?
dimethyl-prop-2-enyl-[4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium has a molecular weight of 262.46 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-prop-2-enyl-[4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-yl]azanium is sourced from PubChem (CID 54537776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).