3-[[cyclopropyl(prop-2-enyl)amino]methyl]aniline

C13H18N2 — CID 115563307

IUPAC3-[[cyclopropyl(prop-2-enyl)amino]methyl]aniline
SMILESC=CCN(Cc1cccc(N)c1)C1CC1
InChIInChI=1S/C13H18N2/c1-2-8-15(13-6-7-13)10-11-4-3-5-12(14)9-11/h2-5,9,13H,1,6-8,10,14H2
InChIKeyAHUBRSATRBBFBL-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.42
Rot. Bonds5

About 3-[[cyclopropyl(prop-2-enyl)amino]methyl]aniline

3-[[cyclopropyl(prop-2-enyl)amino]methyl]aniline (PubChem CID 115563307) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-[[cyclopropyl(prop-2-enyl)amino]methyl]aniline.

Molecular Properties

Compound Name3-[[cyclopropyl(prop-2-enyl)amino]methyl]aniline
PubChem CID115563307
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name3-[[cyclopropyl(prop-2-enyl)amino]methyl]aniline
SMILESC=CCN(Cc1cccc(N)c1)C1CC1
InChIInChI=1S/C13H18N2/c1-2-8-15(13-6-7-13)10-11-4-3-5-12(14)9-11/h2-5,9,13H,1,6-8,10,14H2
InChIKeyAHUBRSATRBBFBL-UHFFFAOYSA-N
XLogP2.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[[cyclopropyl-[(3,5-dimethylphenyl)methyl]amino]methyl]aniline
CID 61030225
3-[[cyclopropyl-[(3,4-dichlorophenyl)methyl]amino]methyl]aniline
CID 43460843
3-[[cyclopropyl(thiophen-3-ylmethyl)amino]methyl]aniline
CID 43646266
3-[[cyclopentyl(ethyl)amino]methyl]aniline
CID 43459100
3-[[cyclopropyl-[(4-methoxyphenyl)methyl]amino]methyl]aniline
CID 43460831
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-prop-2-enylcyclopropanamine
CID 113363614
3-[(3-aminophenyl)methyl-prop-2-enylamino]prop-1-en-2-ol
CID 89159576
4-[[(3-aminophenyl)methyl-cyclopropylamino]methyl]pyridine-2-carbonitrile
CID 63880970
3-[[cyclopropyl-[(1-methylpyrazol-3-yl)methyl]amino]methyl]aniline
CID 82865728
2-[(3-aminophenyl)methyl-cyclohexylamino]acetamide
CID 43461239
3-[[cyclopropyl-[(5,5-dimethyloxolan-2-yl)methyl]amino]methyl]aniline
CID 116522195
3-[3-[methyl-(4-methylcyclohexyl)amino]propyl]aniline
CID 115341883

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(prop-2-enyl)amino]methyl]aniline?
The IUPAC name of 3-[[cyclopropyl(prop-2-enyl)amino]methyl]aniline (CID 115563307) is 3-[[cyclopropyl(prop-2-enyl)amino]methyl]aniline.
What is the SMILES notation for 3-[[cyclopropyl(prop-2-enyl)amino]methyl]aniline?
The canonical SMILES for 3-[[cyclopropyl(prop-2-enyl)amino]methyl]aniline is C=CCN(Cc1cccc(N)c1)C1CC1.
What is the InChIKey of 3-[[cyclopropyl(prop-2-enyl)amino]methyl]aniline?
The InChIKey is AHUBRSATRBBFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-8-15(13-6-7-13)10-11-4-3-5-12(14)9-11/h2-5,9,13H,1,6-8,10,14H2.
What are the key properties of 3-[[cyclopropyl(prop-2-enyl)amino]methyl]aniline?
3-[[cyclopropyl(prop-2-enyl)amino]methyl]aniline has a molecular weight of 202.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(prop-2-enyl)amino]methyl]aniline is sourced from PubChem (CID 115563307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).