3-[[butyl(cyclopropyl)amino]methyl]-2-methylaniline

C15H24N2 — CID 61440649

IUPAC3-[[butyl(cyclopropyl)amino]methyl]-2-methylaniline
SMILESCCCCN(Cc1cccc(N)c1C)C1CC1
InChIInChI=1S/C15H24N2/c1-3-4-10-17(14-8-9-14)11-13-6-5-7-15(16)12(13)2/h5-7,14H,3-4,8-11,16H2,1-2H3
InChIKeyZKSLWYLTHHKCHY-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.34
Rot. Bonds6

About 3-[[butyl(cyclopropyl)amino]methyl]-2-methylaniline

3-[[butyl(cyclopropyl)amino]methyl]-2-methylaniline (PubChem CID 61440649) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-[[butyl(cyclopropyl)amino]methyl]-2-methylaniline.

Molecular Properties

Compound Name3-[[butyl(cyclopropyl)amino]methyl]-2-methylaniline
PubChem CID61440649
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-[[butyl(cyclopropyl)amino]methyl]-2-methylaniline
SMILESCCCCN(Cc1cccc(N)c1C)C1CC1
InChIInChI=1S/C15H24N2/c1-3-4-10-17(14-8-9-14)11-13-6-5-7-15(16)12(13)2/h5-7,14H,3-4,8-11,16H2,1-2H3
InChIKeyZKSLWYLTHHKCHY-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[butyl(cyclopropyl)amino]methyl]-2-methylaniline?
The IUPAC name of 3-[[butyl(cyclopropyl)amino]methyl]-2-methylaniline (CID 61440649) is 3-[[butyl(cyclopropyl)amino]methyl]-2-methylaniline.
What is the SMILES notation for 3-[[butyl(cyclopropyl)amino]methyl]-2-methylaniline?
The canonical SMILES for 3-[[butyl(cyclopropyl)amino]methyl]-2-methylaniline is CCCCN(Cc1cccc(N)c1C)C1CC1.
What is the InChIKey of 3-[[butyl(cyclopropyl)amino]methyl]-2-methylaniline?
The InChIKey is ZKSLWYLTHHKCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-4-10-17(14-8-9-14)11-13-6-5-7-15(16)12(13)2/h5-7,14H,3-4,8-11,16H2,1-2H3.
What are the key properties of 3-[[butyl(cyclopropyl)amino]methyl]-2-methylaniline?
3-[[butyl(cyclopropyl)amino]methyl]-2-methylaniline has a molecular weight of 232.37 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[butyl(cyclopropyl)amino]methyl]-2-methylaniline is sourced from PubChem (CID 61440649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).