methyl-[1-[2-(3-methylpentyl)-3-pentylidenecyclopropyl]but-1-enyl]-pentylideneazanium

C24H44N+ — CID 123932437

IUPACmethyl-[1-[2-(3-methylpentyl)-3-pentylidenecyclopropyl]but-1-enyl]-pentylideneazanium
SMILESCCC=C(C1C(=CCCCC)C1CCC(C)CC)/[N+](C)=C/CCCC
InChIInChI=1S/C24H44N/c1-7-11-13-16-21-22(18-17-20(5)10-4)24(21)23(15-9-3)25(6)19-14-12-8-2/h15-16,19-20,22,24H,7-14,17-18H2,1-6H3/q+1/b21-16?,23-15?,25-19+
InChIKeyPEAMIYZEUOQNFH-YEOWLEEMSA-N
MW346.62 g/mol
LogP7.37
Rot. Bonds13

About methyl-[1-[2-(3-methylpentyl)-3-pentylidenecyclopropyl]but-1-enyl]-pentylideneazanium

methyl-[1-[2-(3-methylpentyl)-3-pentylidenecyclopropyl]but-1-enyl]-pentylideneazanium (PubChem CID 123932437) has the molecular formula C24H44N+ and a molecular weight of 346.62 g/mol. Its IUPAC name is methyl-[1-[2-(3-methylpentyl)-3-pentylidenecyclopropyl]but-1-enyl]-pentylideneazanium.

Molecular Properties

Compound Namemethyl-[1-[2-(3-methylpentyl)-3-pentylidenecyclopropyl]but-1-enyl]-pentylideneazanium
PubChem CID123932437
Molecular FormulaC24H44N+
Molecular Weight346.62 g/mol
Exact Mass346.35
IUPAC Namemethyl-[1-[2-(3-methylpentyl)-3-pentylidenecyclopropyl]but-1-enyl]-pentylideneazanium
SMILESCCC=C(C1C(=CCCCC)C1CCC(C)CC)/[N+](C)=C/CCCC
InChIInChI=1S/C24H44N/c1-7-11-13-16-21-22(18-17-20(5)10-4)24(21)23(15-9-3)25(6)19-14-12-8-2/h15-16,19-20,22,24H,7-14,17-18H2,1-6H3/q+1/b21-16?,23-15?,25-19+
InChIKeyPEAMIYZEUOQNFH-YEOWLEEMSA-N
XLogP7.37
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.62
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

5-[(3-methylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 59152633
5-[(3-ethylcyclohex-2-en-1-yl)methyl]-3H-pyrrole
CID 68011916
2-cyclopropyl-N-[(2S)-4,8-dimethylnon-7-en-2-yl]-3-methylheptan-1-imine
CID 70961241
5-(6-methylheptyl)-7-(2-methylpropyl)-4,5-dihydro-3H-azepine
CID 123238353
N,3,8-trimethyl-N-[7-(2-methyl-3-methylideneheptyl)iminooct-2-en-2-yl]non-7-en-1-amine
CID 123241621
Butylidene-[5-(3,4-dimethylhept-1-en-2-yl)-4-ethyl-2-methylcyclohex-3-en-1-yl]-methylazanium
CID 123398825
2-Ethylheptylidene-hex-1-en-2-yl-methylazanium
CID 123416280
Dimethyl-[2-[(2-methylcyclopropyl)methyl]-3-prop-2-enyloct-3-enylidene]azanium
CID 123658981
ethane;5-[2-[(E)-5-ethyloct-1-enyl]cyclopropyl]-3H-pyrrole
CID 141854650
5-[2-(5-cyclohexylpentyl)cyclopropyl]-3H-pyrrole;ethane
CID 141854703
5-[(1S)-2-[(Z)-5-ethyloct-1-enyl]cyclopropyl]-3-methyl-3H-pyrrole
CID 141854721
ethane;methane;3-methyl-5-[(1S)-2-methyl-2-prop-1-en-2-ylcyclopropyl]-3H-pyrrole;propan-2-ylcyclohexane
CID 141854724

Frequently Asked Questions

What is the IUPAC name of methyl-[1-[2-(3-methylpentyl)-3-pentylidenecyclopropyl]but-1-enyl]-pentylideneazanium?
The IUPAC name of methyl-[1-[2-(3-methylpentyl)-3-pentylidenecyclopropyl]but-1-enyl]-pentylideneazanium (CID 123932437) is methyl-[1-[2-(3-methylpentyl)-3-pentylidenecyclopropyl]but-1-enyl]-pentylideneazanium.
What is the SMILES notation for methyl-[1-[2-(3-methylpentyl)-3-pentylidenecyclopropyl]but-1-enyl]-pentylideneazanium?
The canonical SMILES for methyl-[1-[2-(3-methylpentyl)-3-pentylidenecyclopropyl]but-1-enyl]-pentylideneazanium is CCC=C(C1C(=CCCCC)C1CCC(C)CC)/[N+](C)=C/CCCC.
What is the InChIKey of methyl-[1-[2-(3-methylpentyl)-3-pentylidenecyclopropyl]but-1-enyl]-pentylideneazanium?
The InChIKey is PEAMIYZEUOQNFH-YEOWLEEMSA-N. The full InChI is InChI=1S/C24H44N/c1-7-11-13-16-21-22(18-17-20(5)10-4)24(21)23(15-9-3)25(6)19-14-12-8-2/h15-16,19-20,22,24H,7-14,17-18H2,1-6H3/q+1/b21-16?,23-15?,25-19+.
What are the key properties of methyl-[1-[2-(3-methylpentyl)-3-pentylidenecyclopropyl]but-1-enyl]-pentylideneazanium?
methyl-[1-[2-(3-methylpentyl)-3-pentylidenecyclopropyl]but-1-enyl]-pentylideneazanium has a molecular weight of 346.62 g/mol, XLogP of 7.37, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[1-[2-(3-methylpentyl)-3-pentylidenecyclopropyl]but-1-enyl]-pentylideneazanium is sourced from PubChem (CID 123932437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).