4,5,6,6-tetramethylcyclohexa-2,4-dien-1-amine

C10H17N — CID 70139379

IUPAC4,5,6,6-tetramethylcyclohexa-2,4-dien-1-amine
SMILESCC1=C(C)C(C)(C)C(N)C=C1
InChIInChI=1S/C10H17N/c1-7-5-6-9(11)10(3,4)8(7)2/h5-6,9H,11H2,1-4H3
InChIKeyKTCRBFONKNVHBW-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.25
Rot. Bonds

About 4,5,6,6-tetramethylcyclohexa-2,4-dien-1-amine

4,5,6,6-tetramethylcyclohexa-2,4-dien-1-amine (PubChem CID 70139379) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 4,5,6,6-tetramethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4,5,6,6-tetramethylcyclohexa-2,4-dien-1-amine
PubChem CID70139379
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name4,5,6,6-tetramethylcyclohexa-2,4-dien-1-amine
SMILESCC1=C(C)C(C)(C)C(N)C=C1
InChIInChI=1S/C10H17N/c1-7-5-6-9(11)10(3,4)8(7)2/h5-6,9H,11H2,1-4H3
InChIKeyKTCRBFONKNVHBW-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5,6,6-tetramethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4,5,6,6-tetramethylcyclohexa-2,4-dien-1-amine (CID 70139379) is 4,5,6,6-tetramethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4,5,6,6-tetramethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4,5,6,6-tetramethylcyclohexa-2,4-dien-1-amine is CC1=C(C)C(C)(C)C(N)C=C1.
What is the InChIKey of 4,5,6,6-tetramethylcyclohexa-2,4-dien-1-amine?
The InChIKey is KTCRBFONKNVHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-7-5-6-9(11)10(3,4)8(7)2/h5-6,9H,11H2,1-4H3.
What are the key properties of 4,5,6,6-tetramethylcyclohexa-2,4-dien-1-amine?
4,5,6,6-tetramethylcyclohexa-2,4-dien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,6-tetramethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 70139379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).