2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline

C15H24N2 — CID 103958943

IUPAC2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
SMILESCC[C@@H](N)c1ccccc1N(C)CC1CC1C
InChIInChI=1S/C15H24N2/c1-4-14(16)13-7-5-6-8-15(13)17(3)10-12-9-11(12)2/h5-8,11-12,14H,4,9-10,16H2,1-3H3/t11?,12?,14-/m1/s1
InChIKeyLHJQEDZNEZWHFH-ORHYLEIMSA-N
MW232.37 g/mol
LogP3.19
Rot. Bonds5

About 2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline

2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline (PubChem CID 103958943) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline.

Molecular Properties

Compound Name2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
PubChem CID103958943
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
SMILESCC[C@@H](N)c1ccccc1N(C)CC1CC1C
InChIInChI=1S/C15H24N2/c1-4-14(16)13-7-5-6-8-15(13)17(3)10-12-9-11(12)2/h5-8,11-12,14H,4,9-10,16H2,1-3H3/t11?,12?,14-/m1/s1
InChIKeyLHJQEDZNEZWHFH-ORHYLEIMSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(1-aminopropyl)-N-methylanilino]methyl]cyclobutan-1-ol
CID 112678195
2-[(1S)-1-aminopropyl]-N-(cyclohexylmethyl)-N-methylaniline
CID 103958669
2-(1-aminopropyl)-N-ethyl-N-methylaniline
CID 23460228
2-(1-aminopropyl)-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 112678152
2-[(1S)-1-aminopropyl]-N-methyl-N-(oxan-4-ylmethyl)aniline
CID 103958935
2-(1-aminopropyl)-N,N-dimethylaniline
CID 112704132
4-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 114066213
2-[(1R)-1-aminopropyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylaniline
CID 103959014
2-[(1R)-1-aminopropyl]-N-methyl-N-(3-methylcyclohexyl)aniline
CID 103958672
2-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylprop-2-enyl)aniline
CID 104868604
2-[(1S)-1-aminopropyl]-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
CID 105415190
2-(1-aminopropyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylaniline
CID 105415288

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline?
The IUPAC name of 2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline (CID 103958943) is 2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline.
What is the SMILES notation for 2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline?
The canonical SMILES for 2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline is CC[C@@H](N)c1ccccc1N(C)CC1CC1C.
What is the InChIKey of 2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline?
The InChIKey is LHJQEDZNEZWHFH-ORHYLEIMSA-N. The full InChI is InChI=1S/C15H24N2/c1-4-14(16)13-7-5-6-8-15(13)17(3)10-12-9-11(12)2/h5-8,11-12,14H,4,9-10,16H2,1-3H3/t11?,12?,14-/m1/s1.
What are the key properties of 2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline?
2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline has a molecular weight of 232.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline is sourced from PubChem (CID 103958943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).