4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline

C15H24N2 — CID 62105481

IUPAC4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(c1ccc(CN)cc1)C1CC1
InChIInChI=1S/C15H24N2/c1-3-12(2)11-17(15-8-9-15)14-6-4-13(10-16)5-7-14/h4-7,12,15H,3,8-11,16H2,1-2H3
InChIKeyWWENBRHNLARALO-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.16
Rot. Bonds6

About 4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline

4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline (PubChem CID 62105481) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline
PubChem CID62105481
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline
SMILESCCC(C)CN(c1ccc(CN)cc1)C1CC1
InChIInChI=1S/C15H24N2/c1-3-12(2)11-17(15-8-9-15)14-6-4-13(10-16)5-7-14/h4-7,12,15H,3,8-11,16H2,1-2H3
InChIKeyWWENBRHNLARALO-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline?
The IUPAC name of 4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline (CID 62105481) is 4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline?
The canonical SMILES for 4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline is CCC(C)CN(c1ccc(CN)cc1)C1CC1.
What is the InChIKey of 4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline?
The InChIKey is WWENBRHNLARALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-12(2)11-17(15-8-9-15)14-6-4-13(10-16)5-7-14/h4-7,12,15H,3,8-11,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline?
4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline has a molecular weight of 232.37 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline is sourced from PubChem (CID 62105481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).