2-[(2-methylcycloprop-2-en-1-yl)methyl]aniline

C11H13N — CID 163753278

IUPAC2-[(2-methylcycloprop-2-en-1-yl)methyl]aniline
SMILESCC1=CC1Cc1ccccc1N
InChIInChI=1S/C11H13N/c1-8-6-10(8)7-9-4-2-3-5-11(9)12/h2-6,10H,7,12H2,1H3
InChIKeyLRWOLCPPKSLEIV-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.39
Rot. Bonds2

About 2-[(2-methylcycloprop-2-en-1-yl)methyl]aniline

2-[(2-methylcycloprop-2-en-1-yl)methyl]aniline (PubChem CID 163753278) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-[(2-methylcycloprop-2-en-1-yl)methyl]aniline.

Molecular Properties

Compound Name2-[(2-methylcycloprop-2-en-1-yl)methyl]aniline
PubChem CID163753278
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name2-[(2-methylcycloprop-2-en-1-yl)methyl]aniline
SMILESCC1=CC1Cc1ccccc1N
InChIInChI=1S/C11H13N/c1-8-6-10(8)7-9-4-2-3-5-11(9)12/h2-6,10H,7,12H2,1H3
InChIKeyLRWOLCPPKSLEIV-UHFFFAOYSA-N
XLogP2.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethyl)aniline
CID 55285261
2-(cyclopentylmethyl)aniline
CID 15634615
ethane;2-ethylaniline
CID 90841248
(2-aminophenyl)methyloxidanium
CID 164683115
2-ethylaniline;propane
CID 143529464
2-(aminomethyl)aniline;ethane
CID 90697767
2-[(2-methylphenyl)methylsulfanylmethyl]aniline
CID 62055179
2-(piperidin-2-ylmethyl)aniline
CID 84662844
2-[(2-aminophenyl)methyl]aniline;aniline
CID 158811697
2-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 84662847
2-(aminomethyl)aniline;hydrochloride
CID 69170371
2-(2-aminoethyl)aniline;ethane
CID 90745291

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylcycloprop-2-en-1-yl)methyl]aniline?
The IUPAC name of 2-[(2-methylcycloprop-2-en-1-yl)methyl]aniline (CID 163753278) is 2-[(2-methylcycloprop-2-en-1-yl)methyl]aniline.
What is the SMILES notation for 2-[(2-methylcycloprop-2-en-1-yl)methyl]aniline?
The canonical SMILES for 2-[(2-methylcycloprop-2-en-1-yl)methyl]aniline is CC1=CC1Cc1ccccc1N.
What is the InChIKey of 2-[(2-methylcycloprop-2-en-1-yl)methyl]aniline?
The InChIKey is LRWOLCPPKSLEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-8-6-10(8)7-9-4-2-3-5-11(9)12/h2-6,10H,7,12H2,1H3.
What are the key properties of 2-[(2-methylcycloprop-2-en-1-yl)methyl]aniline?
2-[(2-methylcycloprop-2-en-1-yl)methyl]aniline has a molecular weight of 159.23 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylcycloprop-2-en-1-yl)methyl]aniline is sourced from PubChem (CID 163753278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).