N-methyl-N-[4-(3-methylpentan-3-yl)cyclohexa-1,5-dien-1-yl]aniline

C19H27N — CID 143498699

IUPACN-methyl-N-[4-(3-methylpentan-3-yl)cyclohexa-1,5-dien-1-yl]aniline
SMILESCCC(C)(CC)C1C=CC(N(C)c2ccccc2)=CC1
InChIInChI=1S/C19H27N/c1-5-19(3,6-2)16-12-14-18(15-13-16)20(4)17-10-8-7-9-11-17/h7-12,14-16H,5-6,13H2,1-4H3
InChIKeyZDXYTGVVXREBII-UHFFFAOYSA-N
MW269.43 g/mol
LogP5.41
Rot. Bonds5

About N-methyl-N-[4-(3-methylpentan-3-yl)cyclohexa-1,5-dien-1-yl]aniline

N-methyl-N-[4-(3-methylpentan-3-yl)cyclohexa-1,5-dien-1-yl]aniline (PubChem CID 143498699) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is N-methyl-N-[4-(3-methylpentan-3-yl)cyclohexa-1,5-dien-1-yl]aniline.

Molecular Properties

Compound NameN-methyl-N-[4-(3-methylpentan-3-yl)cyclohexa-1,5-dien-1-yl]aniline
PubChem CID143498699
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC NameN-methyl-N-[4-(3-methylpentan-3-yl)cyclohexa-1,5-dien-1-yl]aniline
SMILESCCC(C)(CC)C1C=CC(N(C)c2ccccc2)=CC1
InChIInChI=1S/C19H27N/c1-5-19(3,6-2)16-12-14-18(15-13-16)20(4)17-10-8-7-9-11-17/h7-12,14-16H,5-6,13H2,1-4H3
InChIKeyZDXYTGVVXREBII-UHFFFAOYSA-N
XLogP5.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.43
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(N-[4-(2-methylbutan-2-yl)phenyl]anilino)cyclohexa-2,4-dien-1-yl]ethanone
CID 70860368
N-methyl-N-phenylbicyclo[4.1.0]hepta-2,4-dien-3-amine;toluene
CID 144622736
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887
1-N,2-dimethyl-1-N-phenylbutane-1,2-diamine
CID 79810832
N-cyclohexa-2,4-dien-1-yl-N-methylaniline
CID 15822281
3-ethenyl-N-methyl-N-(4-methylcyclohexa-1,5-dien-1-yl)aniline
CID 129131363
4-(N-phenylanilino)cyclohexa-2,4-diene-1-carbaldehyde
CID 146953475
2-[4-[1-ethyl-1-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]cyclohexa-2,4-dien-1-yl]propyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163895787
ethene;N-methyl-N-phenylaniline
CID 144541479
2-(2-methyl-1-phenoxybutan-2-yl)oxirane
CID 141209391
4-[(E)-2-[4-[(E)-2-fluoroethenyl]phenyl]ethenyl]-N-(4-methylcyclohexa-1,5-dien-1-yl)-N-phenylaniline
CID 143254565
N-methyl-N-(3-methylhexan-3-yl)aniline
CID 146408930

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(3-methylpentan-3-yl)cyclohexa-1,5-dien-1-yl]aniline?
The IUPAC name of N-methyl-N-[4-(3-methylpentan-3-yl)cyclohexa-1,5-dien-1-yl]aniline (CID 143498699) is N-methyl-N-[4-(3-methylpentan-3-yl)cyclohexa-1,5-dien-1-yl]aniline.
What is the SMILES notation for N-methyl-N-[4-(3-methylpentan-3-yl)cyclohexa-1,5-dien-1-yl]aniline?
The canonical SMILES for N-methyl-N-[4-(3-methylpentan-3-yl)cyclohexa-1,5-dien-1-yl]aniline is CCC(C)(CC)C1C=CC(N(C)c2ccccc2)=CC1.
What is the InChIKey of N-methyl-N-[4-(3-methylpentan-3-yl)cyclohexa-1,5-dien-1-yl]aniline?
The InChIKey is ZDXYTGVVXREBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-5-19(3,6-2)16-12-14-18(15-13-16)20(4)17-10-8-7-9-11-17/h7-12,14-16H,5-6,13H2,1-4H3.
What are the key properties of N-methyl-N-[4-(3-methylpentan-3-yl)cyclohexa-1,5-dien-1-yl]aniline?
N-methyl-N-[4-(3-methylpentan-3-yl)cyclohexa-1,5-dien-1-yl]aniline has a molecular weight of 269.43 g/mol, XLogP of 5.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(3-methylpentan-3-yl)cyclohexa-1,5-dien-1-yl]aniline is sourced from PubChem (CID 143498699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).