lithium N,N-dimethylcyclohexa-1,3,4-trien-1-amine

C8H10LiN — CID 170843645

IUPAClithium N,N-dimethylcyclohexa-1,3,4-trien-1-amine
SMILESCN(C)C1=CC=C=C[CH-]1.[Li+]
InChIInChI=1S/C8H10N.Li/c1-9(2)8-6-4-3-5-7-8;/h4-7H,1-2H3;/q-1;+1
InChIKeyGYFSNOAKRGSWKQ-UHFFFAOYSA-N
MW127.12 g/mol
LogP-1.63
Rot. Bonds1

About lithium N,N-dimethylcyclohexa-1,3,4-trien-1-amine

lithium N,N-dimethylcyclohexa-1,3,4-trien-1-amine (PubChem CID 170843645) has the molecular formula C8H10LiN and a molecular weight of 127.12 g/mol. Its IUPAC name is lithium N,N-dimethylcyclohexa-1,3,4-trien-1-amine.

Molecular Properties

Compound Namelithium N,N-dimethylcyclohexa-1,3,4-trien-1-amine
PubChem CID170843645
Molecular FormulaC8H10LiN
Molecular Weight127.12 g/mol
Exact Mass127.10
IUPAC Namelithium N,N-dimethylcyclohexa-1,3,4-trien-1-amine
SMILESCN(C)C1=CC=C=C[CH-]1.[Li+]
InChIInChI=1S/C8H10N.Li/c1-9(2)8-6-4-3-5-7-8;/h4-7H,1-2H3;/q-1;+1
InChIKeyGYFSNOAKRGSWKQ-UHFFFAOYSA-N
XLogP-1.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.12
LogP ≤ 5-1.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1-Ethyl-propenyl)-dimethyl-amine
CID 5370379
(E)-3-(Dimethylamino)-2-pentene
CID 5463125
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CID 58329250
4-fluoro-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 144496766
N,N-dimethylpent-2-en-3-amine
CID 141698
1-Dimethylaminocyclohexa-1,3-diene
CID 5255616
N,N-dimethylhex-3-en-3-amine
CID 12124831
N,N-dimethylcyclopenta-1,3-dien-1-amine
CID 12679267
(3E)-N,N-dimethylhexa-3,5-dien-3-amine
CID 13112058
1,3,5-Cycloheptatrien-1-amine,N,N-dimethyl-,(1Z,3Z,5Z)-(9CI)
CID 13380462
N,N-diethylcyclopenta-1,3-dien-1-amine
CID 17779559
1,2,3,5-Tetramethyl-6-methylidenepyridine
CID 20677150

Frequently Asked Questions

What is the IUPAC name of lithium N,N-dimethylcyclohexa-1,3,4-trien-1-amine?
The IUPAC name of lithium N,N-dimethylcyclohexa-1,3,4-trien-1-amine (CID 170843645) is lithium N,N-dimethylcyclohexa-1,3,4-trien-1-amine.
What is the SMILES notation for lithium N,N-dimethylcyclohexa-1,3,4-trien-1-amine?
The canonical SMILES for lithium N,N-dimethylcyclohexa-1,3,4-trien-1-amine is CN(C)C1=CC=C=C[CH-]1.[Li+].
What is the InChIKey of lithium N,N-dimethylcyclohexa-1,3,4-trien-1-amine?
The InChIKey is GYFSNOAKRGSWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N.Li/c1-9(2)8-6-4-3-5-7-8;/h4-7H,1-2H3;/q-1;+1.
What are the key properties of lithium N,N-dimethylcyclohexa-1,3,4-trien-1-amine?
lithium N,N-dimethylcyclohexa-1,3,4-trien-1-amine has a molecular weight of 127.12 g/mol, XLogP of -1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N,N-dimethylcyclohexa-1,3,4-trien-1-amine is sourced from PubChem (CID 170843645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).