N,3,3,4,4-pentamethylcyclohexa-1,5-dien-1-amine

C11H19N — CID 59745757

IUPACN,3,3,4,4-pentamethylcyclohexa-1,5-dien-1-amine
SMILESCNC1=CC(C)(C)C(C)(C)C=C1
InChIInChI=1S/C11H19N/c1-10(2)7-6-9(12-5)8-11(10,3)4/h6-8,12H,1-5H3
InChIKeyDJSMNJRQPBFBLO-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.71
Rot. Bonds1

About N,3,3,4,4-pentamethylcyclohexa-1,5-dien-1-amine

N,3,3,4,4-pentamethylcyclohexa-1,5-dien-1-amine (PubChem CID 59745757) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is N,3,3,4,4-pentamethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN,3,3,4,4-pentamethylcyclohexa-1,5-dien-1-amine
PubChem CID59745757
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC NameN,3,3,4,4-pentamethylcyclohexa-1,5-dien-1-amine
SMILESCNC1=CC(C)(C)C(C)(C)C=C1
InChIInChI=1S/C11H19N/c1-10(2)7-6-9(12-5)8-11(10,3)4/h6-8,12H,1-5H3
InChIKeyDJSMNJRQPBFBLO-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3,3,4,4-pentamethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of N,3,3,4,4-pentamethylcyclohexa-1,5-dien-1-amine (CID 59745757) is N,3,3,4,4-pentamethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N,3,3,4,4-pentamethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for N,3,3,4,4-pentamethylcyclohexa-1,5-dien-1-amine is CNC1=CC(C)(C)C(C)(C)C=C1.
What is the InChIKey of N,3,3,4,4-pentamethylcyclohexa-1,5-dien-1-amine?
The InChIKey is DJSMNJRQPBFBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-10(2)7-6-9(12-5)8-11(10,3)4/h6-8,12H,1-5H3.
What are the key properties of N,3,3,4,4-pentamethylcyclohexa-1,5-dien-1-amine?
N,3,3,4,4-pentamethylcyclohexa-1,5-dien-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3,4,4-pentamethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 59745757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).