4-tert-butyl-N-(4-tert-butyl-5-methylcyclohexa-1,3-dien-1-yl)-6-methylidenecyclohexa-2,4-dien-1-amine

C22H33N — CID 90858247

IUPAC4-tert-butyl-N-(4-tert-butyl-5-methylcyclohexa-1,3-dien-1-yl)-6-methylidenecyclohexa-2,4-dien-1-amine
SMILESC=C1C=C(C(C)(C)C)C=CC1NC1=CC=C(C(C)(C)C)C(C)C1
InChIInChI=1S/C22H33N/c1-15-14-18(10-11-19(15)22(6,7)8)23-20-12-9-17(13-16(20)2)21(3,4)5/h9-13,15,20,23H,2,14H2,1,3-8H3
InChIKeyXFRSUONGTHDQJD-UHFFFAOYSA-N
MW311.51 g/mol
LogP5.94
Rot. Bonds2

About 4-tert-butyl-N-(4-tert-butyl-5-methylcyclohexa-1,3-dien-1-yl)-6-methylidenecyclohexa-2,4-dien-1-amine

4-tert-butyl-N-(4-tert-butyl-5-methylcyclohexa-1,3-dien-1-yl)-6-methylidenecyclohexa-2,4-dien-1-amine (PubChem CID 90858247) has the molecular formula C22H33N and a molecular weight of 311.51 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-tert-butyl-5-methylcyclohexa-1,3-dien-1-yl)-6-methylidenecyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(4-tert-butyl-5-methylcyclohexa-1,3-dien-1-yl)-6-methylidenecyclohexa-2,4-dien-1-amine
PubChem CID90858247
Molecular FormulaC22H33N
Molecular Weight311.51 g/mol
Exact Mass311.26
IUPAC Name4-tert-butyl-N-(4-tert-butyl-5-methylcyclohexa-1,3-dien-1-yl)-6-methylidenecyclohexa-2,4-dien-1-amine
SMILESC=C1C=C(C(C)(C)C)C=CC1NC1=CC=C(C(C)(C)C)C(C)C1
InChIInChI=1S/C22H33N/c1-15-14-18(10-11-19(15)22(6,7)8)23-20-12-9-17(13-16(20)2)21(3,4)5/h9-13,15,20,23H,2,14H2,1,3-8H3
InChIKeyXFRSUONGTHDQJD-UHFFFAOYSA-N
XLogP5.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.51
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 54444424
(4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine
CID 88997990
N-[(5Z,6E)-3-[(E)-6-amino-6-fluoro-5-methylhex-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085395
3-N-(4,4-dimethylpent-1-en-2-yl)-2-N-[(2Z,4Z,8Z,9E)-3-fluoro-10-methyl-6-methylidene-5-prop-1-en-2-yl-8-prop-2-enylidenepentadeca-2,4,9-trien-2-yl]-4-methylhexane-2,3-diamine
CID 134187748
(1E,2R)-N-[3-[1-methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-1-[(6Z)-6-prop-2-enylidenecyclohexa-2,4-dien-1-ylidene]propan-2-amine
CID 138663224
N-[1-(4-fluoro-1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-4-methylcyclohexan-1-amine
CID 143777843
N-[1-[4-[(E)-but-2-en-2-yl]cyclohexa-1,3-dien-1-yl]ethenyl]-2-ethyl-4-fluoro-4-methylpentan-1-amine
CID 146578963
3-fluoro-4-N,3-bis(2-methylpropyl)cyclohexa-1,5-diene-1,4-diamine
CID 152025024
N-[(3Z)-6-ethyl-4-[(E)-4-fluoro-4-methylpent-2-en-3-yl]octa-1,3-dien-2-yl]cyclohexanamine
CID 156099488
(3E,5Z)-N-[3-[(1S)-3-[(Z)-but-1-enyl]-1-methylcyclobut-2-en-1-yl]propyl]-7-fluoro-2-methylocta-1,3,5-trien-4-amine
CID 156519348
(5S)-6-fluoro-5-methyl-N-propan-2-yl-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
CID 164155149
N-[1-[5-(2,2-difluoroethyl)cyclohexa-2,4-dien-1-yl]ethenyl]-2-methylhex-1-en-3-amine
CID 166734820

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-tert-butyl-5-methylcyclohexa-1,3-dien-1-yl)-6-methylidenecyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-tert-butyl-N-(4-tert-butyl-5-methylcyclohexa-1,3-dien-1-yl)-6-methylidenecyclohexa-2,4-dien-1-amine (CID 90858247) is 4-tert-butyl-N-(4-tert-butyl-5-methylcyclohexa-1,3-dien-1-yl)-6-methylidenecyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-tert-butyl-N-(4-tert-butyl-5-methylcyclohexa-1,3-dien-1-yl)-6-methylidenecyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-tert-butyl-N-(4-tert-butyl-5-methylcyclohexa-1,3-dien-1-yl)-6-methylidenecyclohexa-2,4-dien-1-amine is C=C1C=C(C(C)(C)C)C=CC1NC1=CC=C(C(C)(C)C)C(C)C1.
What is the InChIKey of 4-tert-butyl-N-(4-tert-butyl-5-methylcyclohexa-1,3-dien-1-yl)-6-methylidenecyclohexa-2,4-dien-1-amine?
The InChIKey is XFRSUONGTHDQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N/c1-15-14-18(10-11-19(15)22(6,7)8)23-20-12-9-17(13-16(20)2)21(3,4)5/h9-13,15,20,23H,2,14H2,1,3-8H3.
What are the key properties of 4-tert-butyl-N-(4-tert-butyl-5-methylcyclohexa-1,3-dien-1-yl)-6-methylidenecyclohexa-2,4-dien-1-amine?
4-tert-butyl-N-(4-tert-butyl-5-methylcyclohexa-1,3-dien-1-yl)-6-methylidenecyclohexa-2,4-dien-1-amine has a molecular weight of 311.51 g/mol, XLogP of 5.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-tert-butyl-5-methylcyclohexa-1,3-dien-1-yl)-6-methylidenecyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 90858247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).