2-[(Z)-1-amino-3-methylbut-1-en-2-yl]aniline

C11H16N2 — CID 130281292

IUPAC2-[(Z)-1-amino-3-methylbut-1-en-2-yl]aniline
SMILESCC(C)/C(=C/N)c1ccccc1N
InChIInChI=1S/C11H16N2/c1-8(2)10(7-12)9-5-3-4-6-11(9)13/h3-8H,12-13H2,1-2H3/b10-7-
InChIKeyOLOSMNRJRFZIIE-YFHOEESVSA-N
MW176.26 g/mol
LogP2.22
Rot. Bonds2

About 2-[(Z)-1-amino-3-methylbut-1-en-2-yl]aniline

2-[(Z)-1-amino-3-methylbut-1-en-2-yl]aniline (PubChem CID 130281292) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-[(Z)-1-amino-3-methylbut-1-en-2-yl]aniline.

Molecular Properties

Compound Name2-[(Z)-1-amino-3-methylbut-1-en-2-yl]aniline
PubChem CID130281292
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-[(Z)-1-amino-3-methylbut-1-en-2-yl]aniline
SMILESCC(C)/C(=C/N)c1ccccc1N
InChIInChI=1S/C11H16N2/c1-8(2)10(7-12)9-5-3-4-6-11(9)13/h3-8H,12-13H2,1-2H3/b10-7-
InChIKeyOLOSMNRJRFZIIE-YFHOEESVSA-N
XLogP2.22
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 119094172
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2-(2-chlorophenyl)prop-1-en-1-amine
CID 174405971
2-amino-N-methylbenzenecarbothioamide
CID 10797150
(2S)-2-[(2-aminobenzoyl)amino]propanoic acid
CID 25068369
(1-amino-1-oxopropan-2-yl) 2-aminobenzoate
CID 60625431
1-(3-amino-2-bromophenyl)-2-chloropropan-1-one
CID 118826655
(E)-3-(2-aminophenyl)but-2-enenitrile
CID 12520881
(2-aminophenyl)methylidene-hydroxy-propan-2-ylazanium
CID 54426508
4-methylpentan-2-yl 2-aminobenzoate
CID 61278616
2-amino-N-(2-hydroxypropyl)benzamide
CID 12562298

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-amino-3-methylbut-1-en-2-yl]aniline?
The IUPAC name of 2-[(Z)-1-amino-3-methylbut-1-en-2-yl]aniline (CID 130281292) is 2-[(Z)-1-amino-3-methylbut-1-en-2-yl]aniline.
What is the SMILES notation for 2-[(Z)-1-amino-3-methylbut-1-en-2-yl]aniline?
The canonical SMILES for 2-[(Z)-1-amino-3-methylbut-1-en-2-yl]aniline is CC(C)/C(=C/N)c1ccccc1N.
What is the InChIKey of 2-[(Z)-1-amino-3-methylbut-1-en-2-yl]aniline?
The InChIKey is OLOSMNRJRFZIIE-YFHOEESVSA-N. The full InChI is InChI=1S/C11H16N2/c1-8(2)10(7-12)9-5-3-4-6-11(9)13/h3-8H,12-13H2,1-2H3/b10-7-.
What are the key properties of 2-[(Z)-1-amino-3-methylbut-1-en-2-yl]aniline?
2-[(Z)-1-amino-3-methylbut-1-en-2-yl]aniline has a molecular weight of 176.26 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-amino-3-methylbut-1-en-2-yl]aniline is sourced from PubChem (CID 130281292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).