1,5-ditert-butylcyclohexa-2,4-dien-1-amine

C14H25N — CID 170563172

IUPAC1,5-ditert-butylcyclohexa-2,4-dien-1-amine
SMILESCC(C)(C)C1=CC=CC(N)(C(C)(C)C)C1
InChIInChI=1S/C14H25N/c1-12(2,3)11-8-7-9-14(15,10-11)13(4,5)6/h7-9H,10,15H2,1-6H3
InChIKeyUWDRQDOPDMBPGW-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.66
Rot. Bonds

About 1,5-ditert-butylcyclohexa-2,4-dien-1-amine

1,5-ditert-butylcyclohexa-2,4-dien-1-amine (PubChem CID 170563172) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1,5-ditert-butylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1,5-ditert-butylcyclohexa-2,4-dien-1-amine
PubChem CID170563172
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1,5-ditert-butylcyclohexa-2,4-dien-1-amine
SMILESCC(C)(C)C1=CC=CC(N)(C(C)(C)C)C1
InChIInChI=1S/C14H25N/c1-12(2,3)11-8-7-9-14(15,10-11)13(4,5)6/h7-9H,10,15H2,1-6H3
InChIKeyUWDRQDOPDMBPGW-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butylcyclohexa-2,4-dien-1-amine
CID 150805435
5-tert-butyl-1-hydroxycyclohexa-2,4-diene-1-carboxylic acid;1-hydroxycyclohexa-2,4-diene-1-carboxylic acid
CID 159660797
5-tert-butyl-1,5-dichlorocyclohexa-1,3-diene
CID 173052296
1-tert-butyl-5-chlorocyclohexa-1,3-diene
CID 173042938
5-bromo-1-tert-butylcyclohexa-1,3-diene
CID 173042940
1-tert-butylcyclopenta-1,3-diene;dichlorozirconium
CID 175242307
5-hydrazinylcyclohexa-2,4-diene-1,1-diamine
CID 141102727
2,2,5-tritert-butyl-1,3-dihydroindene
CID 165164993
tert-butyl 1,5-diaminocyclohexa-2,4-diene-1-carboxylate
CID 66935418
4-tert-butyl-4-methyl-1H-inden-1-ide;hafnium
CID 175534262
[1,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanamine;hydrochloride
CID 140504272
1-[1,5-bis(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanone
CID 87865240

Frequently Asked Questions

What is the IUPAC name of 1,5-ditert-butylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 1,5-ditert-butylcyclohexa-2,4-dien-1-amine (CID 170563172) is 1,5-ditert-butylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1,5-ditert-butylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1,5-ditert-butylcyclohexa-2,4-dien-1-amine is CC(C)(C)C1=CC=CC(N)(C(C)(C)C)C1.
What is the InChIKey of 1,5-ditert-butylcyclohexa-2,4-dien-1-amine?
The InChIKey is UWDRQDOPDMBPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-12(2,3)11-8-7-9-14(15,10-11)13(4,5)6/h7-9H,10,15H2,1-6H3.
What are the key properties of 1,5-ditert-butylcyclohexa-2,4-dien-1-amine?
1,5-ditert-butylcyclohexa-2,4-dien-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-ditert-butylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 170563172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).