4,4-ditert-butylcyclohexa-1,5-dien-1-amine

C14H25N — CID 140765017

IUPAC4,4-ditert-butylcyclohexa-1,5-dien-1-amine
SMILESCC(C)(C)C1(C(C)(C)C)C=CC(N)=CC1
InChIInChI=1S/C14H25N/c1-12(2,3)14(13(4,5)6)9-7-11(15)8-10-14/h7-9H,10,15H2,1-6H3
InChIKeyQORSIDQCWIXYIF-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.87
Rot. Bonds

About 4,4-ditert-butylcyclohexa-1,5-dien-1-amine

4,4-ditert-butylcyclohexa-1,5-dien-1-amine (PubChem CID 140765017) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 4,4-ditert-butylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4,4-ditert-butylcyclohexa-1,5-dien-1-amine
PubChem CID140765017
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name4,4-ditert-butylcyclohexa-1,5-dien-1-amine
SMILESCC(C)(C)C1(C(C)(C)C)C=CC(N)=CC1
InChIInChI=1S/C14H25N/c1-12(2,3)14(13(4,5)6)9-7-11(15)8-10-14/h7-9H,10,15H2,1-6H3
InChIKeyQORSIDQCWIXYIF-UHFFFAOYSA-N
XLogP3.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-ditert-butylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 4,4-ditert-butylcyclohexa-1,5-dien-1-amine (CID 140765017) is 4,4-ditert-butylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4,4-ditert-butylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4,4-ditert-butylcyclohexa-1,5-dien-1-amine is CC(C)(C)C1(C(C)(C)C)C=CC(N)=CC1.
What is the InChIKey of 4,4-ditert-butylcyclohexa-1,5-dien-1-amine?
The InChIKey is QORSIDQCWIXYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-12(2,3)14(13(4,5)6)9-7-11(15)8-10-14/h7-9H,10,15H2,1-6H3.
What are the key properties of 4,4-ditert-butylcyclohexa-1,5-dien-1-amine?
4,4-ditert-butylcyclohexa-1,5-dien-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.87, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-ditert-butylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 140765017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).