(4,6-diethyl-7-methyldec-1-en-3-yl)-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-methylideneazanium

C24H42N+ — CID 123710731

IUPAC(4,6-diethyl-7-methyldec-1-en-3-yl)-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-methylideneazanium
SMILESC=CC(C(CC)CC(CC)C(C)CCC)[N+](=C)CC1C=CC(C)=CC1
InChIInChI=1S/C24H42N/c1-8-12-20(6)22(9-2)17-23(10-3)24(11-4)25(7)18-21-15-13-19(5)14-16-21/h11,13-15,20-24H,4,7-10,12,16-18H2,1-3,5-6H3/q+1
InChIKeyZMTGMYPVBRTRBQ-UHFFFAOYSA-N
MW344.61 g/mol
LogP6.66
Rot. Bonds12

About (4,6-diethyl-7-methyldec-1-en-3-yl)-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-methylideneazanium

(4,6-diethyl-7-methyldec-1-en-3-yl)-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-methylideneazanium (PubChem CID 123710731) has the molecular formula C24H42N+ and a molecular weight of 344.61 g/mol. Its IUPAC name is (4,6-diethyl-7-methyldec-1-en-3-yl)-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-methylideneazanium.

Molecular Properties

Compound Name(4,6-diethyl-7-methyldec-1-en-3-yl)-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-methylideneazanium
PubChem CID123710731
Molecular FormulaC24H42N+
Molecular Weight344.61 g/mol
Exact Mass344.33
IUPAC Name(4,6-diethyl-7-methyldec-1-en-3-yl)-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-methylideneazanium
SMILESC=CC(C(CC)CC(CC)C(C)CCC)[N+](=C)CC1C=CC(C)=CC1
InChIInChI=1S/C24H42N/c1-8-12-20(6)22(9-2)17-23(10-3)24(11-4)25(7)18-21-15-13-19(5)14-16-21/h11,13-15,20-24H,4,7-10,12,16-18H2,1-3,5-6H3/q+1
InChIKeyZMTGMYPVBRTRBQ-UHFFFAOYSA-N
XLogP6.66
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.61
LogP ≤ 56.66
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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Frequently Asked Questions

What is the IUPAC name of (4,6-diethyl-7-methyldec-1-en-3-yl)-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-methylideneazanium?
The IUPAC name of (4,6-diethyl-7-methyldec-1-en-3-yl)-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-methylideneazanium (CID 123710731) is (4,6-diethyl-7-methyldec-1-en-3-yl)-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-methylideneazanium.
What is the SMILES notation for (4,6-diethyl-7-methyldec-1-en-3-yl)-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-methylideneazanium?
The canonical SMILES for (4,6-diethyl-7-methyldec-1-en-3-yl)-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-methylideneazanium is C=CC(C(CC)CC(CC)C(C)CCC)[N+](=C)CC1C=CC(C)=CC1.
What is the InChIKey of (4,6-diethyl-7-methyldec-1-en-3-yl)-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-methylideneazanium?
The InChIKey is ZMTGMYPVBRTRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N/c1-8-12-20(6)22(9-2)17-23(10-3)24(11-4)25(7)18-21-15-13-19(5)14-16-21/h11,13-15,20-24H,4,7-10,12,16-18H2,1-3,5-6H3/q+1.
What are the key properties of (4,6-diethyl-7-methyldec-1-en-3-yl)-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-methylideneazanium?
(4,6-diethyl-7-methyldec-1-en-3-yl)-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-methylideneazanium has a molecular weight of 344.61 g/mol, XLogP of 6.66, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-diethyl-7-methyldec-1-en-3-yl)-[(4-methylcyclohexa-2,4-dien-1-yl)methyl]-methylideneazanium is sourced from PubChem (CID 123710731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).