N-but-3-en-2-yl-2-methylaniline

C11H15N — CID 14765790

IUPACN-but-3-en-2-yl-2-methylaniline
SMILESC=CC(C)Nc1ccccc1C
InChIInChI=1S/C11H15N/c1-4-10(3)12-11-8-6-5-7-9(11)2/h4-8,10,12H,1H2,2-3H3
InChIKeyXVIRWMYFRAITEI-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.98
Rot. Bonds3

About N-but-3-en-2-yl-2-methylaniline

N-but-3-en-2-yl-2-methylaniline (PubChem CID 14765790) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-but-3-en-2-yl-2-methylaniline.

Molecular Properties

Compound NameN-but-3-en-2-yl-2-methylaniline
PubChem CID14765790
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-but-3-en-2-yl-2-methylaniline
SMILESC=CC(C)Nc1ccccc1C
InChIInChI=1S/C11H15N/c1-4-10(3)12-11-8-6-5-7-9(11)2/h4-8,10,12H,1H2,2-3H3
InChIKeyXVIRWMYFRAITEI-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 107906214
2-methyl-N-[(4E)-4-methylhexa-1,4-dien-3-yl]aniline
CID 166994856
N-[(2S)-but-3-en-2-yl]-2-[(E)-prop-1-enyl]aniline
CID 174245756
N-but-3-en-2-yl-2-methyl-5-(trifluoromethyl)aniline
CID 107907236
3-(2-methylanilino)pent-4-enenitrile
CID 67325941
N-but-3-en-2-yl-2-(2-methoxyethyl)aniline
CID 107908300
ethane;N-ethenyl-2-methylaniline
CID 142183828
2-methyl-N-(4-methylpentan-2-yl)aniline
CID 43196655
(1S,2S)-N,N'-bis(2-methylphenyl)-1,2-diphenylethane-1,2-diamine
CID 134874635
2-methyl-N-(5-methylhexan-2-yl)aniline
CID 43095435
3-(2-methylanilino)butan-2-one
CID 14026537
2-methyl-N-[1-(4-methylphenyl)ethyl]aniline
CID 43196651

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-2-methylaniline?
The IUPAC name of N-but-3-en-2-yl-2-methylaniline (CID 14765790) is N-but-3-en-2-yl-2-methylaniline.
What is the SMILES notation for N-but-3-en-2-yl-2-methylaniline?
The canonical SMILES for N-but-3-en-2-yl-2-methylaniline is C=CC(C)Nc1ccccc1C.
What is the InChIKey of N-but-3-en-2-yl-2-methylaniline?
The InChIKey is XVIRWMYFRAITEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-4-10(3)12-11-8-6-5-7-9(11)2/h4-8,10,12H,1H2,2-3H3.
What are the key properties of N-but-3-en-2-yl-2-methylaniline?
N-but-3-en-2-yl-2-methylaniline has a molecular weight of 161.25 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-2-methylaniline is sourced from PubChem (CID 14765790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).