4-[(1S)-1-aminopropyl]-N-(1-cyclopropylethyl)-N-methylaniline

C15H24N2 — CID 114066044

IUPAC4-[(1S)-1-aminopropyl]-N-(1-cyclopropylethyl)-N-methylaniline
SMILESCC[C@H](N)c1ccc(N(C)C(C)C2CC2)cc1
InChIInChI=1S/C15H24N2/c1-4-15(16)13-7-9-14(10-8-13)17(3)11(2)12-5-6-12/h7-12,15H,4-6,16H2,1-3H3/t11?,15-/m0/s1
InChIKeyIEQSOEBUBQMBLI-MHTVFEQDSA-N
MW232.37 g/mol
LogP3.33
Rot. Bonds5

About 4-[(1S)-1-aminopropyl]-N-(1-cyclopropylethyl)-N-methylaniline

4-[(1S)-1-aminopropyl]-N-(1-cyclopropylethyl)-N-methylaniline (PubChem CID 114066044) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-[(1S)-1-aminopropyl]-N-(1-cyclopropylethyl)-N-methylaniline.

Molecular Properties

Compound Name4-[(1S)-1-aminopropyl]-N-(1-cyclopropylethyl)-N-methylaniline
PubChem CID114066044
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-[(1S)-1-aminopropyl]-N-(1-cyclopropylethyl)-N-methylaniline
SMILESCC[C@H](N)c1ccc(N(C)C(C)C2CC2)cc1
InChIInChI=1S/C15H24N2/c1-4-15(16)13-7-9-14(10-8-13)17(3)11(2)12-5-6-12/h7-12,15H,4-6,16H2,1-3H3/t11?,15-/m0/s1
InChIKeyIEQSOEBUBQMBLI-MHTVFEQDSA-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-(aminomethyl)-N-(1-cyclopropylethyl)-N-methylaniline
CID 43568641
N-(1-cyclopropylethyl)-N-methylaniline
CID 134851823
6-(1-aminoethyl)-N-(1-cyclopropylethyl)-N-methylpyridin-3-amine
CID 83122563
4-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
CID 114066213
4-[(1R)-1-aminopropyl]-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 114066089
N'-(1-cyclopropylethyl)-N'-methyl-1-[4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107519718
(1S)-1-(4-methylphenyl)propan-1-amine
CID 7028357
ethane;1-(4-methylphenyl)propan-1-amine
CID 142982263
4-(2-aminobutyl)-N-(1-cyclopropylethyl)-2-fluoro-N-methylaniline
CID 63787146
(1S)-1-[4-(1-adamantyl)phenyl]propan-1-amine
CID 97043066
2-[4-(1-aminoethyl)-N-methylanilino]propan-1-ol
CID 104552414
6-[1-cyclopropylethyl(methyl)amino]-3-(methylamino)-1,3-dihydroindol-2-one
CID 43586850

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-aminopropyl]-N-(1-cyclopropylethyl)-N-methylaniline?
The IUPAC name of 4-[(1S)-1-aminopropyl]-N-(1-cyclopropylethyl)-N-methylaniline (CID 114066044) is 4-[(1S)-1-aminopropyl]-N-(1-cyclopropylethyl)-N-methylaniline.
What is the SMILES notation for 4-[(1S)-1-aminopropyl]-N-(1-cyclopropylethyl)-N-methylaniline?
The canonical SMILES for 4-[(1S)-1-aminopropyl]-N-(1-cyclopropylethyl)-N-methylaniline is CC[C@H](N)c1ccc(N(C)C(C)C2CC2)cc1.
What is the InChIKey of 4-[(1S)-1-aminopropyl]-N-(1-cyclopropylethyl)-N-methylaniline?
The InChIKey is IEQSOEBUBQMBLI-MHTVFEQDSA-N. The full InChI is InChI=1S/C15H24N2/c1-4-15(16)13-7-9-14(10-8-13)17(3)11(2)12-5-6-12/h7-12,15H,4-6,16H2,1-3H3/t11?,15-/m0/s1.
What are the key properties of 4-[(1S)-1-aminopropyl]-N-(1-cyclopropylethyl)-N-methylaniline?
4-[(1S)-1-aminopropyl]-N-(1-cyclopropylethyl)-N-methylaniline 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-[(1S)-1-aminopropyl]-N-(1-cyclopropylethyl)-N-methylaniline is sourced from PubChem (CID 114066044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).