1-(3-chlorocyclohexa-2,4-dien-1-ylidene)-N,N,N',N'-tetramethylmethanediamine

C11H17ClN2 — CID 141090048

IUPAC1-(3-chlorocyclohexa-2,4-dien-1-ylidene)-N,N,N',N'-tetramethylmethanediamine
SMILESCN(C)C(=C1C=C(Cl)C=CC1)N(C)C
InChIInChI=1S/C11H17ClN2/c1-13(2)11(14(3)4)9-6-5-7-10(12)8-9/h5,7-8H,6H2,1-4H3
InChIKeyYBEGNDVLKBIFMO-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.40
Rot. Bonds2

About 1-(3-chlorocyclohexa-2,4-dien-1-ylidene)-N,N,N',N'-tetramethylmethanediamine

1-(3-chlorocyclohexa-2,4-dien-1-ylidene)-N,N,N',N'-tetramethylmethanediamine (PubChem CID 141090048) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 1-(3-chlorocyclohexa-2,4-dien-1-ylidene)-N,N,N',N'-tetramethylmethanediamine.

Molecular Properties

Compound Name1-(3-chlorocyclohexa-2,4-dien-1-ylidene)-N,N,N',N'-tetramethylmethanediamine
PubChem CID141090048
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name1-(3-chlorocyclohexa-2,4-dien-1-ylidene)-N,N,N',N'-tetramethylmethanediamine
SMILESCN(C)C(=C1C=C(Cl)C=CC1)N(C)C
InChIInChI=1S/C11H17ClN2/c1-13(2)11(14(3)4)9-6-5-7-10(12)8-9/h5,7-8H,6H2,1-4H3
InChIKeyYBEGNDVLKBIFMO-UHFFFAOYSA-N
XLogP2.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorocyclohexa-2,4-dien-1-ylidene)-N,N,N',N'-tetramethylmethanediamine?
The IUPAC name of 1-(3-chlorocyclohexa-2,4-dien-1-ylidene)-N,N,N',N'-tetramethylmethanediamine (CID 141090048) is 1-(3-chlorocyclohexa-2,4-dien-1-ylidene)-N,N,N',N'-tetramethylmethanediamine.
What is the SMILES notation for 1-(3-chlorocyclohexa-2,4-dien-1-ylidene)-N,N,N',N'-tetramethylmethanediamine?
The canonical SMILES for 1-(3-chlorocyclohexa-2,4-dien-1-ylidene)-N,N,N',N'-tetramethylmethanediamine is CN(C)C(=C1C=C(Cl)C=CC1)N(C)C.
What is the InChIKey of 1-(3-chlorocyclohexa-2,4-dien-1-ylidene)-N,N,N',N'-tetramethylmethanediamine?
The InChIKey is YBEGNDVLKBIFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-13(2)11(14(3)4)9-6-5-7-10(12)8-9/h5,7-8H,6H2,1-4H3.
What are the key properties of 1-(3-chlorocyclohexa-2,4-dien-1-ylidene)-N,N,N',N'-tetramethylmethanediamine?
1-(3-chlorocyclohexa-2,4-dien-1-ylidene)-N,N,N',N'-tetramethylmethanediamine has a molecular weight of 212.72 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorocyclohexa-2,4-dien-1-ylidene)-N,N,N',N'-tetramethylmethanediamine is sourced from PubChem (CID 141090048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).