(4-methylidenecyclohexa-2,5-dien-1-ylidene)-propylazanium

C10H14N+ — CID 59057511

IUPAC(4-methylidenecyclohexa-2,5-dien-1-ylidene)-propylazanium
SMILESC=C1C=CC(=[NH+]CCC)C=C1
InChIInChI=1S/C10H13N/c1-3-8-11-10-6-4-9(2)5-7-10/h4-7H,2-3,8H2,1H3/p+1
InChIKeyHZOUZTUXTYBISH-UHFFFAOYSA-O
MW148.23 g/mol
LogP0.60
Rot. Bonds2

About (4-methylidenecyclohexa-2,5-dien-1-ylidene)-propylazanium

(4-methylidenecyclohexa-2,5-dien-1-ylidene)-propylazanium (PubChem CID 59057511) has the molecular formula C10H14N+ and a molecular weight of 148.23 g/mol. Its IUPAC name is (4-methylidenecyclohexa-2,5-dien-1-ylidene)-propylazanium.

Molecular Properties

Compound Name(4-methylidenecyclohexa-2,5-dien-1-ylidene)-propylazanium
PubChem CID59057511
Molecular FormulaC10H14N+
Molecular Weight148.23 g/mol
Exact Mass148.11
IUPAC Name(4-methylidenecyclohexa-2,5-dien-1-ylidene)-propylazanium
SMILESC=C1C=CC(=[NH+]CCC)C=C1
InChIInChI=1S/C10H13N/c1-3-8-11-10-6-4-9(2)5-7-10/h4-7H,2-3,8H2,1H3/p+1
InChIKeyHZOUZTUXTYBISH-UHFFFAOYSA-O
XLogP0.60
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-methylidenecyclohexa-2,5-dien-1-imine
CID 12561442
2,3-Dihydroquinolin-1-ium
CID 23126746
4-methylidene-N-propylcyclohexa-2,5-dien-1-imine
CID 59057512
1-[(6-Methylidenecyclohexa-2,4-dien-1-ylidene)amino]ethanamine
CID 68342709
(Z)-[(2E)-2-but-3-en-2-ylidene-6-methyl-3-pyridinylidene]methanamine
CID 88877690
(3Z)-N-ethyl-4-methylhexa-3,5-dien-2-imine
CID 89469233
2H-indol-1-ium
CID 91284697
(6-methyl-2H-pyridin-3-ylidene)methanamine
CID 118486769
N-ethyl-4-methylidenecyclohexa-2,5-dien-1-imine
CID 123630844
N-methyl-2-[[(3Z)-5-methylhexa-3,5-dien-2-ylidene]amino]ethanamine
CID 123635406
(2S)-4-ethenyl-6-methyl-2,3-dihydropyridin-2-amine
CID 124095370
2,6,9-trimethyl-8H-pyrido[2,3-c]azepine
CID 131966673

Frequently Asked Questions

What is the IUPAC name of (4-methylidenecyclohexa-2,5-dien-1-ylidene)-propylazanium?
The IUPAC name of (4-methylidenecyclohexa-2,5-dien-1-ylidene)-propylazanium (CID 59057511) is (4-methylidenecyclohexa-2,5-dien-1-ylidene)-propylazanium.
What is the SMILES notation for (4-methylidenecyclohexa-2,5-dien-1-ylidene)-propylazanium?
The canonical SMILES for (4-methylidenecyclohexa-2,5-dien-1-ylidene)-propylazanium is C=C1C=CC(=[NH+]CCC)C=C1.
What is the InChIKey of (4-methylidenecyclohexa-2,5-dien-1-ylidene)-propylazanium?
The InChIKey is HZOUZTUXTYBISH-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13N/c1-3-8-11-10-6-4-9(2)5-7-10/h4-7H,2-3,8H2,1H3/p+1.
What are the key properties of (4-methylidenecyclohexa-2,5-dien-1-ylidene)-propylazanium?
(4-methylidenecyclohexa-2,5-dien-1-ylidene)-propylazanium has a molecular weight of 148.23 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylidenecyclohexa-2,5-dien-1-ylidene)-propylazanium is sourced from PubChem (CID 59057511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).