1-[(6E)-6-butylidenecyclohexa-2,4-dien-1-yl]-N,N-dimethylmethanamine

C13H21N — CID 15113053

IUPAC1-[(6E)-6-butylidenecyclohexa-2,4-dien-1-yl]-N,N-dimethylmethanamine
SMILESCCC/C=C1\C=CC=CC1CN(C)C
InChIInChI=1S/C13H21N/c1-4-5-8-12-9-6-7-10-13(12)11-14(2)3/h6-10,13H,4-5,11H2,1-3H3/b12-8+
InChIKeyUFOBTUXJUUPRSC-XYOKQWHBSA-N
MW191.32 g/mol
LogP3.02
Rot. Bonds4

About 1-[(6E)-6-butylidenecyclohexa-2,4-dien-1-yl]-N,N-dimethylmethanamine

1-[(6E)-6-butylidenecyclohexa-2,4-dien-1-yl]-N,N-dimethylmethanamine (PubChem CID 15113053) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 1-[(6E)-6-butylidenecyclohexa-2,4-dien-1-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(6E)-6-butylidenecyclohexa-2,4-dien-1-yl]-N,N-dimethylmethanamine
PubChem CID15113053
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name1-[(6E)-6-butylidenecyclohexa-2,4-dien-1-yl]-N,N-dimethylmethanamine
SMILESCCC/C=C1\C=CC=CC1CN(C)C
InChIInChI=1S/C13H21N/c1-4-5-8-12-9-6-7-10-13(12)11-14(2)3/h6-10,13H,4-5,11H2,1-3H3/b12-8+
InChIKeyUFOBTUXJUUPRSC-XYOKQWHBSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(6E)-6-butylidenecyclohexa-2,4-dien-1-yl]-N,N-dimethylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butylidenecyclopropene
CID 91215868
(6E)-6-(ethylsulfanylmethylidene)cyclohexa-2,4-dien-1-ol
CID 163637562
5-methylidene-6-propylcyclohexa-1,3-diene
CID 163513277
4-butylidene-3,3a-dihydro-2-benzofuran-1-one
CID 141056334
(2E)-2-butylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride
CID 5467289
5,6-di(butylidene)bicyclo[2.2.1]hept-2-ene
CID 174898329
4-butylidene-4aH-benzo[d][1,3]benzodioxepin-6-one
CID 70415988
6-tridecylcyclohexa-2,4-dien-1-one
CID 141201662
5-ethylidene-6-methylcyclohexa-1,3-diene
CID 123649762
5-ethylidene-6-prop-2-enylcyclohexa-1,3-diene;sulfuric acid
CID 175271309
6-[[bis(prop-2-enyl)amino]methylidene]cyclohexa-2,4-dien-1-ol
CID 173140122
5,6-di(butylidene)cyclohex-2-ene-1,4-dicarboxylic acid
CID 173411397

Frequently Asked Questions

What is the IUPAC name of 1-[(6E)-6-butylidenecyclohexa-2,4-dien-1-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(6E)-6-butylidenecyclohexa-2,4-dien-1-yl]-N,N-dimethylmethanamine (CID 15113053) is 1-[(6E)-6-butylidenecyclohexa-2,4-dien-1-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(6E)-6-butylidenecyclohexa-2,4-dien-1-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(6E)-6-butylidenecyclohexa-2,4-dien-1-yl]-N,N-dimethylmethanamine is CCC/C=C1\C=CC=CC1CN(C)C.
What is the InChIKey of 1-[(6E)-6-butylidenecyclohexa-2,4-dien-1-yl]-N,N-dimethylmethanamine?
The InChIKey is UFOBTUXJUUPRSC-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H21N/c1-4-5-8-12-9-6-7-10-13(12)11-14(2)3/h6-10,13H,4-5,11H2,1-3H3/b12-8+.
What are the key properties of 1-[(6E)-6-butylidenecyclohexa-2,4-dien-1-yl]-N,N-dimethylmethanamine?
1-[(6E)-6-butylidenecyclohexa-2,4-dien-1-yl]-N,N-dimethylmethanamine has a molecular weight of 191.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6E)-6-butylidenecyclohexa-2,4-dien-1-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 15113053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).