1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)-N,N-dimethylmethanamine

C12H19N — CID 91113905

IUPAC1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1=CC(C)(C)C=CC=C1
InChIInChI=1S/C12H19N/c1-12(2)8-6-5-7-11(9-12)10-13(3)4/h5-9H,10H2,1-4H3
InChIKeyWEHGXGKZXKLACM-UHFFFAOYSA-N
MW177.29 g/mol
LogP2.63
Rot. Bonds2

About 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)-N,N-dimethylmethanamine

1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)-N,N-dimethylmethanamine (PubChem CID 91113905) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)-N,N-dimethylmethanamine
PubChem CID91113905
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)-N,N-dimethylmethanamine
SMILESCN(C)CC1=CC(C)(C)C=CC=C1
InChIInChI=1S/C12H19N/c1-12(2)8-6-5-7-11(9-12)10-13(3)4/h5-9H,10H2,1-4H3
InChIKeyWEHGXGKZXKLACM-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)-N,N-dimethylmethanamine (CID 91113905) is 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)-N,N-dimethylmethanamine is CN(C)CC1=CC(C)(C)C=CC=C1.
What is the InChIKey of 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)-N,N-dimethylmethanamine?
The InChIKey is WEHGXGKZXKLACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-12(2)8-6-5-7-11(9-12)10-13(3)4/h5-9H,10H2,1-4H3.
What are the key properties of 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)-N,N-dimethylmethanamine?
1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)-N,N-dimethylmethanamine has a molecular weight of 177.29 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylcyclohepta-1,4,6-trien-1-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 91113905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).