1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N',N'-dimethylmethanediamine

C11H20N2 — CID 163541583

IUPAC1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N',N'-dimethylmethanediamine
SMILESCC1=CCC(C)(C(N)N(C)C)C=C1
InChIInChI=1S/C11H20N2/c1-9-5-7-11(2,8-6-9)10(12)13(3)4/h5-7,10H,8,12H2,1-4H3
InChIKeyFBNPDIFOKBURBS-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.75
Rot. Bonds2

About 1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N',N'-dimethylmethanediamine

1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N',N'-dimethylmethanediamine (PubChem CID 163541583) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N',N'-dimethylmethanediamine.

Molecular Properties

Compound Name1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N',N'-dimethylmethanediamine
PubChem CID163541583
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N',N'-dimethylmethanediamine
SMILESCC1=CCC(C)(C(N)N(C)C)C=C1
InChIInChI=1S/C11H20N2/c1-9-5-7-11(2,8-6-9)10(12)13(3)4/h5-7,10H,8,12H2,1-4H3
InChIKeyFBNPDIFOKBURBS-UHFFFAOYSA-N
XLogP1.75
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N',N'-dimethylmethanediamine?
The IUPAC name of 1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N',N'-dimethylmethanediamine (CID 163541583) is 1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N',N'-dimethylmethanediamine.
What is the SMILES notation for 1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N',N'-dimethylmethanediamine?
The canonical SMILES for 1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N',N'-dimethylmethanediamine is CC1=CCC(C)(C(N)N(C)C)C=C1.
What is the InChIKey of 1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N',N'-dimethylmethanediamine?
The InChIKey is FBNPDIFOKBURBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-9-5-7-11(2,8-6-9)10(12)13(3)4/h5-7,10H,8,12H2,1-4H3.
What are the key properties of 1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N',N'-dimethylmethanediamine?
1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N',N'-dimethylmethanediamine has a molecular weight of 180.29 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylcyclohexa-2,4-dien-1-yl)-N',N'-dimethylmethanediamine is sourced from PubChem (CID 163541583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).