4-(1-aminoethyl)-N-cyclopropyl-N-(2-methylpropyl)aniline

C15H24N2 — CID 55001779

IUPAC4-(1-aminoethyl)-N-cyclopropyl-N-(2-methylpropyl)aniline
SMILESCC(C)CN(c1ccc(C(C)N)cc1)C1CC1
InChIInChI=1S/C15H24N2/c1-11(2)10-17(15-8-9-15)14-6-4-13(5-7-14)12(3)16/h4-7,11-12,15H,8-10,16H2,1-3H3
InChIKeyFCUOBRVXMZGCAG-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.33
Rot. Bonds5

About 4-(1-aminoethyl)-N-cyclopropyl-N-(2-methylpropyl)aniline

4-(1-aminoethyl)-N-cyclopropyl-N-(2-methylpropyl)aniline (PubChem CID 55001779) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-cyclopropyl-N-(2-methylpropyl)aniline.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-cyclopropyl-N-(2-methylpropyl)aniline
PubChem CID55001779
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-(1-aminoethyl)-N-cyclopropyl-N-(2-methylpropyl)aniline
SMILESCC(C)CN(c1ccc(C(C)N)cc1)C1CC1
InChIInChI=1S/C15H24N2/c1-11(2)10-17(15-8-9-15)14-6-4-13(5-7-14)12(3)16/h4-7,11-12,15H,8-10,16H2,1-3H3
InChIKeyFCUOBRVXMZGCAG-UHFFFAOYSA-N
XLogP3.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.33
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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Related Compounds

4-[(1R)-1-aminoethyl]-N-cyclopropyl-N-(3-methylbutyl)aniline
CID 78935157
2-[4-[(1R)-1-aminoethyl]-N-cyclohexylanilino]ethanol
CID 78935648
2-[(1R)-1-aminoethyl]-N-cyclopropyl-N-(2-methylpropyl)aniline
CID 78935268
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methylpropyl)aniline
CID 55002084
4-(aminomethyl)-N-cyclopropyl-N-(2-methylbutyl)aniline
CID 62105481
1-[4-(aminomethyl)-N-cyclopropylanilino]-3-methylbutan-2-ol
CID 114249457
4-(1-aminoethyl)-N-methyl-N-(2-methylcyclohexyl)aniline
CID 55004836
4-[cyclopropyl(2-methylpropyl)amino]-2-methylbenzenecarboximidamide
CID 81279187
N-[4-[(1S)-1-aminoethyl]phenyl]-N-methyloxan-4-amine
CID 55189766
6-(aminomethyl)-N-cyclopentyl-N-(2-methylpropyl)pyridin-3-amine
CID 113320429
2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)aniline
CID 55189077
N-cyclopropyl-N-ethyl-4-[1-(methylamino)ethyl]aniline
CID 43284542

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-cyclopropyl-N-(2-methylpropyl)aniline?
The IUPAC name of 4-(1-aminoethyl)-N-cyclopropyl-N-(2-methylpropyl)aniline (CID 55001779) is 4-(1-aminoethyl)-N-cyclopropyl-N-(2-methylpropyl)aniline.
What is the SMILES notation for 4-(1-aminoethyl)-N-cyclopropyl-N-(2-methylpropyl)aniline?
The canonical SMILES for 4-(1-aminoethyl)-N-cyclopropyl-N-(2-methylpropyl)aniline is CC(C)CN(c1ccc(C(C)N)cc1)C1CC1.
What is the InChIKey of 4-(1-aminoethyl)-N-cyclopropyl-N-(2-methylpropyl)aniline?
The InChIKey is FCUOBRVXMZGCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11(2)10-17(15-8-9-15)14-6-4-13(5-7-14)12(3)16/h4-7,11-12,15H,8-10,16H2,1-3H3.
What are the key properties of 4-(1-aminoethyl)-N-cyclopropyl-N-(2-methylpropyl)aniline?
4-(1-aminoethyl)-N-cyclopropyl-N-(2-methylpropyl)aniline has a molecular weight of 232.37 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-cyclopropyl-N-(2-methylpropyl)aniline is sourced from PubChem (CID 55001779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).