N,N,2-trimethyl-5-propan-2-ylcyclohexa-1,3-dien-1-amine

C12H21N — CID 134376301

IUPACN,N,2-trimethyl-5-propan-2-ylcyclohexa-1,3-dien-1-amine
SMILESCC1=C(N(C)C)CC(C(C)C)C=C1
InChIInChI=1S/C12H21N/c1-9(2)11-7-6-10(3)12(8-11)13(4)5/h6-7,9,11H,8H2,1-5H3
InChIKeyQAIIWLPJGDSZEM-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.05
Rot. Bonds2

About N,N,2-trimethyl-5-propan-2-ylcyclohexa-1,3-dien-1-amine

N,N,2-trimethyl-5-propan-2-ylcyclohexa-1,3-dien-1-amine (PubChem CID 134376301) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N,N,2-trimethyl-5-propan-2-ylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-5-propan-2-ylcyclohexa-1,3-dien-1-amine
PubChem CID134376301
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN,N,2-trimethyl-5-propan-2-ylcyclohexa-1,3-dien-1-amine
SMILESCC1=C(N(C)C)CC(C(C)C)C=C1
InChIInChI=1S/C12H21N/c1-9(2)11-7-6-10(3)12(8-11)13(4)5/h6-7,9,11H,8H2,1-5H3
InChIKeyQAIIWLPJGDSZEM-UHFFFAOYSA-N
XLogP3.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N,2-trimethyl-5-propan-2-ylcyclohexa-1,3-dien-1-amine 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,N,2-trimethyl-5-propan-2-ylcyclohexa-1,3-dien-1-amine?
The IUPAC name of N,N,2-trimethyl-5-propan-2-ylcyclohexa-1,3-dien-1-amine (CID 134376301) is N,N,2-trimethyl-5-propan-2-ylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N,N,2-trimethyl-5-propan-2-ylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for N,N,2-trimethyl-5-propan-2-ylcyclohexa-1,3-dien-1-amine is CC1=C(N(C)C)CC(C(C)C)C=C1.
What is the InChIKey of N,N,2-trimethyl-5-propan-2-ylcyclohexa-1,3-dien-1-amine?
The InChIKey is QAIIWLPJGDSZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-9(2)11-7-6-10(3)12(8-11)13(4)5/h6-7,9,11H,8H2,1-5H3.
What are the key properties of N,N,2-trimethyl-5-propan-2-ylcyclohexa-1,3-dien-1-amine?
N,N,2-trimethyl-5-propan-2-ylcyclohexa-1,3-dien-1-amine has a molecular weight of 179.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-5-propan-2-ylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 134376301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).