N,N-dimethyl-4-methylidenecyclohexa-2,5-dien-1-amine

C9H13N — CID 89204023

IUPACN,N-dimethyl-4-methylidenecyclohexa-2,5-dien-1-amine
SMILESC=C1C=CC(N(C)C)C=C1
InChIInChI=1S/C9H13N/c1-8-4-6-9(7-5-8)10(2)3/h4-7,9H,1H2,2-3H3
InChIKeyQHDTWYGTBKUHRA-UHFFFAOYSA-N
MW135.21 g/mol
LogP1.60
Rot. Bonds1

About N,N-dimethyl-4-methylidenecyclohexa-2,5-dien-1-amine

N,N-dimethyl-4-methylidenecyclohexa-2,5-dien-1-amine (PubChem CID 89204023) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is N,N-dimethyl-4-methylidenecyclohexa-2,5-dien-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-methylidenecyclohexa-2,5-dien-1-amine
PubChem CID89204023
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC NameN,N-dimethyl-4-methylidenecyclohexa-2,5-dien-1-amine
SMILESC=C1C=CC(N(C)C)C=C1
InChIInChI=1S/C9H13N/c1-8-4-6-9(7-5-8)10(2)3/h4-7,9H,1H2,2-3H3
InChIKeyQHDTWYGTBKUHRA-UHFFFAOYSA-N
XLogP1.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 10036134
Pyridine, 1,2,5,6-tetrahydro-1,2,4-trimethyl-
CID 23423765
2-(Cyclopenta-2,4-dien-1-ylidene)-1-methyl-1,2-dihydropyridine
CID 13860310
1,2-Dihydro-1,2-dimethylpyridine
CID 407922
o-Lithiodimethylbenzylamine
CID 10866427
2,6-Bis(dimethylaminomethyl)phenyllithium
CID 11830389
5-ethyl-1-methyl-2H-pyridine
CID 12506167
1-Methyl-2-vinylpyridine
CID 19781255
2-Diethylaminomethylphenyllithium
CID 21399648
1,3,5-Collidin
CID 22046103
1,3,6-trimethyl-3,6-dihydro-2H-pyridine
CID 57699449
N-methyl-2,6-lutidine
CID 68311864

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-methylidenecyclohexa-2,5-dien-1-amine?
The IUPAC name of N,N-dimethyl-4-methylidenecyclohexa-2,5-dien-1-amine (CID 89204023) is N,N-dimethyl-4-methylidenecyclohexa-2,5-dien-1-amine.
What is the SMILES notation for N,N-dimethyl-4-methylidenecyclohexa-2,5-dien-1-amine?
The canonical SMILES for N,N-dimethyl-4-methylidenecyclohexa-2,5-dien-1-amine is C=C1C=CC(N(C)C)C=C1.
What is the InChIKey of N,N-dimethyl-4-methylidenecyclohexa-2,5-dien-1-amine?
The InChIKey is QHDTWYGTBKUHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-8-4-6-9(7-5-8)10(2)3/h4-7,9H,1H2,2-3H3.
What are the key properties of N,N-dimethyl-4-methylidenecyclohexa-2,5-dien-1-amine?
N,N-dimethyl-4-methylidenecyclohexa-2,5-dien-1-amine has a molecular weight of 135.21 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-methylidenecyclohexa-2,5-dien-1-amine is sourced from PubChem (CID 89204023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).