N-(3-methylbut-1-en-2-yl)aniline

C11H15N — CID 135251792

IUPACN-(3-methylbut-1-en-2-yl)aniline
SMILESC=C(Nc1ccccc1)C(C)C
InChIInChI=1S/C11H15N/c1-9(2)10(3)12-11-7-5-4-6-8-11/h4-9,12H,3H2,1-2H3
InChIKeyDOFJSOLXEIOVDW-UHFFFAOYSA-N
MW161.25 g/mol
LogP3.27
Rot. Bonds3

About N-(3-methylbut-1-en-2-yl)aniline

N-(3-methylbut-1-en-2-yl)aniline (PubChem CID 135251792) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-(3-methylbut-1-en-2-yl)aniline.

Molecular Properties

Compound NameN-(3-methylbut-1-en-2-yl)aniline
PubChem CID135251792
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-(3-methylbut-1-en-2-yl)aniline
SMILESC=C(Nc1ccccc1)C(C)C
InChIInChI=1S/C11H15N/c1-9(2)10(3)12-11-7-5-4-6-8-11/h4-9,12H,3H2,1-2H3
InChIKeyDOFJSOLXEIOVDW-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 18406310
1-N',1-N'-dimethyl-1-N-phenylethene-1,1-diamine
CID 131994247
N-(3,3-dimethylbut-1-en-2-yl)aniline
CID 102590212
2-amino-3-methyl-N-phenylbutanamide;hydrochloride
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2-anilino-N-phenylprop-2-enamide
CID 20522355
2-(2-methylphenyl)sulfanyl-N-phenylprop-2-enethioamide
CID 154460605
2-(1-anilino-1-oxopropan-2-yl)oxy-N-phenylpropanamide
CID 141218606
1-di(propan-2-yl)phosphanyl-N-phenylformamide
CID 575865
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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-1-en-2-yl)aniline?
The IUPAC name of N-(3-methylbut-1-en-2-yl)aniline (CID 135251792) is N-(3-methylbut-1-en-2-yl)aniline.
What is the SMILES notation for N-(3-methylbut-1-en-2-yl)aniline?
The canonical SMILES for N-(3-methylbut-1-en-2-yl)aniline is C=C(Nc1ccccc1)C(C)C.
What is the InChIKey of N-(3-methylbut-1-en-2-yl)aniline?
The InChIKey is DOFJSOLXEIOVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-9(2)10(3)12-11-7-5-4-6-8-11/h4-9,12H,3H2,1-2H3.
What are the key properties of N-(3-methylbut-1-en-2-yl)aniline?
N-(3-methylbut-1-en-2-yl)aniline has a molecular weight of 161.25 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-1-en-2-yl)aniline is sourced from PubChem (CID 135251792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).