N-but-2-en-2-yl-2-methylaniline

C11H15N — CID 74062995

IUPACN-but-2-en-2-yl-2-methylaniline
SMILESCC=C(C)Nc1ccccc1C
InChIInChI=1S/C11H15N/c1-4-10(3)12-11-8-6-5-7-9(11)2/h4-8,12H,1-3H3
InChIKeyGMMPRLLRRBQNEF-UHFFFAOYSA-N
MW161.25 g/mol
LogP3.33
Rot. Bonds2

About N-but-2-en-2-yl-2-methylaniline

N-but-2-en-2-yl-2-methylaniline (PubChem CID 74062995) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-but-2-en-2-yl-2-methylaniline.

Molecular Properties

Compound NameN-but-2-en-2-yl-2-methylaniline
PubChem CID74062995
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-but-2-en-2-yl-2-methylaniline
SMILESCC=C(C)Nc1ccccc1C
InChIInChI=1S/C11H15N/c1-4-10(3)12-11-8-6-5-7-9(11)2/h4-8,12H,1-3H3
InChIKeyGMMPRLLRRBQNEF-UHFFFAOYSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(2-methylphenyl)-2-oxopropanamide
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1-(2-methylphenyl)-3-[2-[(2-methylphenyl)carbamothioylamino]phenyl]thiourea
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(2-methylphenyl)urea;phosphane
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N-(2-methylphenyl)-3-oxobutanamide
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(2Z)-2-hydroxyimino-N-(2-methylphenyl)acetamide
CID 6399046
2-hydroxyimino-N-(2-methylphenyl)acetamide
CID 6399302
N-[(2-methylphenyl)carbamothioyl]acetamide
CID 2791906
3-methyl-N-(2-methylphenyl)-2-sulfanylbut-2-enamide
CID 170032570
ethane;1-methyl-3-(2-methylphenyl)thiourea
CID 90811934
2-methyl-N-[(1E,3E)-penta-1,3-dienyl]aniline
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Frequently Asked Questions

What is the IUPAC name of N-but-2-en-2-yl-2-methylaniline?
The IUPAC name of N-but-2-en-2-yl-2-methylaniline (CID 74062995) is N-but-2-en-2-yl-2-methylaniline.
What is the SMILES notation for N-but-2-en-2-yl-2-methylaniline?
The canonical SMILES for N-but-2-en-2-yl-2-methylaniline is CC=C(C)Nc1ccccc1C.
What is the InChIKey of N-but-2-en-2-yl-2-methylaniline?
The InChIKey is GMMPRLLRRBQNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-4-10(3)12-11-8-6-5-7-9(11)2/h4-8,12H,1-3H3.
What are the key properties of N-but-2-en-2-yl-2-methylaniline?
N-but-2-en-2-yl-2-methylaniline has a molecular weight of 161.25 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-en-2-yl-2-methylaniline is sourced from PubChem (CID 74062995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).