N-methyl-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanamine

C11H19N — CID 178190289

IUPACN-methyl-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanamine
SMILESCNCC1=C(C)C=CCC1(C)C
InChIInChI=1S/C11H19N/c1-9-6-5-7-11(2,3)10(9)8-12-4/h5-6,12H,7-8H2,1-4H3
InChIKeyXIVRDTDNZWJCBK-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.51
Rot. Bonds2

About N-methyl-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanamine

N-methyl-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanamine (PubChem CID 178190289) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N-methyl-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanamine
PubChem CID178190289
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN-methyl-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanamine
SMILESCNCC1=C(C)C=CCC1(C)C
InChIInChI=1S/C11H19N/c1-9-6-5-7-11(2,3)10(9)8-12-4/h5-6,12H,7-8H2,1-4H3
InChIKeyXIVRDTDNZWJCBK-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-methyl-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanamine?
The IUPAC name of N-methyl-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanamine (CID 178190289) is N-methyl-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanamine?
The canonical SMILES for N-methyl-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanamine is CNCC1=C(C)C=CCC1(C)C.
What is the InChIKey of N-methyl-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanamine?
The InChIKey is XIVRDTDNZWJCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-9-6-5-7-11(2,3)10(9)8-12-4/h5-6,12H,7-8H2,1-4H3.
What are the key properties of N-methyl-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanamine?
N-methyl-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanamine has a molecular weight of 165.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)methanamine is sourced from PubChem (CID 178190289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).