amino-(cyclohepta-2,4-dien-1-ylmethyl)-diethylazanium

C12H23N2+ — CID 123712401

IUPACamino-(cyclohepta-2,4-dien-1-ylmethyl)-diethylazanium
SMILESCC[N+](N)(CC)CC1C=CC=CCC1
InChIInChI=1S/C12H23N2/c1-3-14(13,4-2)11-12-9-7-5-6-8-10-12/h5-7,9,12H,3-4,8,10-11,13H2,1-2H3/q+1
InChIKeyNTZLQFLTXSDQBF-UHFFFAOYSA-N
MW195.33 g/mol
LogP2.24
Rot. Bonds4

About amino-(cyclohepta-2,4-dien-1-ylmethyl)-diethylazanium

amino-(cyclohepta-2,4-dien-1-ylmethyl)-diethylazanium (PubChem CID 123712401) has the molecular formula C12H23N2+ and a molecular weight of 195.33 g/mol. Its IUPAC name is amino-(cyclohepta-2,4-dien-1-ylmethyl)-diethylazanium.

Molecular Properties

Compound Nameamino-(cyclohepta-2,4-dien-1-ylmethyl)-diethylazanium
PubChem CID123712401
Molecular FormulaC12H23N2+
Molecular Weight195.33 g/mol
Exact Mass195.19
IUPAC Nameamino-(cyclohepta-2,4-dien-1-ylmethyl)-diethylazanium
SMILESCC[N+](N)(CC)CC1C=CC=CCC1
InChIInChI=1S/C12H23N2/c1-3-14(13,4-2)11-12-9-7-5-6-8-10-12/h5-7,9,12H,3-4,8,10-11,13H2,1-2H3/q+1
InChIKeyNTZLQFLTXSDQBF-UHFFFAOYSA-N
XLogP2.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-(Cyclohex-2-en-1-ylmethyl)-1-methylhydrazine
CID 118548939
3-[(E)-but-1-enyl]azepan-1-amine
CID 144927388
1-[[3-[(Z)-but-1-enyl]cyclobutyl]methyl]-1-ethylhydrazine
CID 155274580
1-Ethyl-1-[(5-methylcyclohex-3-en-1-yl)methyl]hydrazine
CID 145478745

Frequently Asked Questions

What is the IUPAC name of amino-(cyclohepta-2,4-dien-1-ylmethyl)-diethylazanium?
The IUPAC name of amino-(cyclohepta-2,4-dien-1-ylmethyl)-diethylazanium (CID 123712401) is amino-(cyclohepta-2,4-dien-1-ylmethyl)-diethylazanium.
What is the SMILES notation for amino-(cyclohepta-2,4-dien-1-ylmethyl)-diethylazanium?
The canonical SMILES for amino-(cyclohepta-2,4-dien-1-ylmethyl)-diethylazanium is CC[N+](N)(CC)CC1C=CC=CCC1.
What is the InChIKey of amino-(cyclohepta-2,4-dien-1-ylmethyl)-diethylazanium?
The InChIKey is NTZLQFLTXSDQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N2/c1-3-14(13,4-2)11-12-9-7-5-6-8-10-12/h5-7,9,12H,3-4,8,10-11,13H2,1-2H3/q+1.
What are the key properties of amino-(cyclohepta-2,4-dien-1-ylmethyl)-diethylazanium?
amino-(cyclohepta-2,4-dien-1-ylmethyl)-diethylazanium has a molecular weight of 195.33 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(cyclohepta-2,4-dien-1-ylmethyl)-diethylazanium is sourced from PubChem (CID 123712401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).