N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-propylaniline

C15H24N2 — CID 115244481

IUPACN-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-propylaniline
SMILESCCCc1ccc(NCC2(CNC)CC2)cc1
InChIInChI=1S/C15H24N2/c1-3-4-13-5-7-14(8-6-13)17-12-15(9-10-15)11-16-2/h5-8,16-17H,3-4,9-12H2,1-2H3
InChIKeyQVEODVUZYVZSDH-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.05
Rot. Bonds7

About N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-propylaniline

N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-propylaniline (PubChem CID 115244481) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-propylaniline.

Molecular Properties

Compound NameN-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-propylaniline
PubChem CID115244481
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-propylaniline
SMILESCCCc1ccc(NCC2(CNC)CC2)cc1
InChIInChI=1S/C15H24N2/c1-3-4-13-5-7-14(8-6-13)17-12-15(9-10-15)11-16-2/h5-8,16-17H,3-4,9-12H2,1-2H3
InChIKeyQVEODVUZYVZSDH-UHFFFAOYSA-N
XLogP3.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-pentylanilino)methyl]cyclohexyl]methanol
CID 81400832
N-methyl-1-[1-(methylaminomethyl)cyclobutyl]-1-(4-propylphenyl)methanamine
CID 116958870
2-[1-[(4-ethylanilino)methyl]cyclopropyl]acetonitrile
CID 65480751
2-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-3H-benzimidazol-5-amine
CID 115244542
N-methyl-4-[(4-propylphenyl)methyl]aniline
CID 116926083
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)ethanamine
CID 115244887
2-(4-propylanilino)ethanethiol
CID 115223632
1-(4-tert-butylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244691
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-propylphenyl)ethanamine
CID 115244289
1-N,2-dimethyl-2-N-(4-propylphenyl)propane-1,2-diamine
CID 115132400
N-methyl-1-(4-propylphenyl)methanamine
CID 20666221
(2R,3S,4R,5R)-2-[(4-propylanilino)methyl]oxane-2,3,4,5-tetrol
CID 11551115

Frequently Asked Questions

What is the IUPAC name of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-propylaniline?
The IUPAC name of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-propylaniline (CID 115244481) is N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-propylaniline.
What is the SMILES notation for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-propylaniline?
The canonical SMILES for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-propylaniline is CCCc1ccc(NCC2(CNC)CC2)cc1.
What is the InChIKey of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-propylaniline?
The InChIKey is QVEODVUZYVZSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-4-13-5-7-14(8-6-13)17-12-15(9-10-15)11-16-2/h5-8,16-17H,3-4,9-12H2,1-2H3.
What are the key properties of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-propylaniline?
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-propylaniline has a molecular weight of 232.37 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-4-propylaniline is sourced from PubChem (CID 115244481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).