1-cyclohepta-2,4,6-trien-1-ylidene-N,N,N',N'-tetramethylmethanediamine

C12H18N2 — CID 639401

IUPAC1-cyclohepta-2,4,6-trien-1-ylidene-N,N,N',N'-tetramethylmethanediamine
SMILESCN(C)C(=C1C=CC=CC=C1)N(C)C
InChIInChI=1S/C12H18N2/c1-13(2)12(14(3)4)11-9-7-5-6-8-10-11/h5-10H,1-4H3
InChIKeyNAZWIYDJDWBNPM-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.00
Rot. Bonds2

About 1-cyclohepta-2,4,6-trien-1-ylidene-N,N,N',N'-tetramethylmethanediamine

1-cyclohepta-2,4,6-trien-1-ylidene-N,N,N',N'-tetramethylmethanediamine (PubChem CID 639401) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 1-cyclohepta-2,4,6-trien-1-ylidene-N,N,N',N'-tetramethylmethanediamine.

Molecular Properties

Compound Name1-cyclohepta-2,4,6-trien-1-ylidene-N,N,N',N'-tetramethylmethanediamine
PubChem CID639401
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name1-cyclohepta-2,4,6-trien-1-ylidene-N,N,N',N'-tetramethylmethanediamine
SMILESCN(C)C(=C1C=CC=CC=C1)N(C)C
InChIInChI=1S/C12H18N2/c1-13(2)12(14(3)4)11-9-7-5-6-8-10-11/h5-10H,1-4H3
InChIKeyNAZWIYDJDWBNPM-UHFFFAOYSA-N
XLogP2.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6,6-Bis(dimethylamino)fulvene
CID 283350
1-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-N,N,N',N'-tetramethylmethanediamine
CID 12824843
1-(3-tert-butylcyclopenta-2,4-dien-1-ylidene)-N,N,N',N'-tetramethylmethanediamine
CID 13280633
1-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-N',N'-diethyl-N,N-dimethylmethanediamine
CID 13484281
2-Cyclopenta-2,4-dien-1-ylidene-1,3,4,5-tetramethylimidazole
CID 102029175
1-cyclopenta-2,4-dien-1-ylidene-N,N'-dimethyl-N,N'-di(propan-2-yl)methanediamine
CID 134923505
1-(3-ethylcyclopenta-2,4-dien-1-ylidene)-N,N,N',N'-tetramethylmethanediamine
CID 134923752
N,N,N',N'-tetramethyl-1-(3-methylcyclopenta-2,4-dien-1-ylidene)methanediamine
CID 134988622
1-(3-chlorocyclohexa-2,4-dien-1-ylidene)-N,N,N',N'-tetramethylmethanediamine
CID 141090048
1-cyclohexa-2,4-dien-1-ylidene-N,N,N',N'-tetramethylmethanediamine
CID 141201028
N,N,1,4,5-pentamethyl-2H-pyridin-6-amine
CID 150852892
1-cyclopenta-1,4-dien-1-yl-N,N,N',N',N",N"-hexamethylmethanetriamine;zirconium
CID 173585735

Frequently Asked Questions

What is the IUPAC name of 1-cyclohepta-2,4,6-trien-1-ylidene-N,N,N',N'-tetramethylmethanediamine?
The IUPAC name of 1-cyclohepta-2,4,6-trien-1-ylidene-N,N,N',N'-tetramethylmethanediamine (CID 639401) is 1-cyclohepta-2,4,6-trien-1-ylidene-N,N,N',N'-tetramethylmethanediamine.
What is the SMILES notation for 1-cyclohepta-2,4,6-trien-1-ylidene-N,N,N',N'-tetramethylmethanediamine?
The canonical SMILES for 1-cyclohepta-2,4,6-trien-1-ylidene-N,N,N',N'-tetramethylmethanediamine is CN(C)C(=C1C=CC=CC=C1)N(C)C.
What is the InChIKey of 1-cyclohepta-2,4,6-trien-1-ylidene-N,N,N',N'-tetramethylmethanediamine?
The InChIKey is NAZWIYDJDWBNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-13(2)12(14(3)4)11-9-7-5-6-8-10-11/h5-10H,1-4H3.
What are the key properties of 1-cyclohepta-2,4,6-trien-1-ylidene-N,N,N',N'-tetramethylmethanediamine?
1-cyclohepta-2,4,6-trien-1-ylidene-N,N,N',N'-tetramethylmethanediamine has a molecular weight of 190.29 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohepta-2,4,6-trien-1-ylidene-N,N,N',N'-tetramethylmethanediamine is sourced from PubChem (CID 639401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).