4-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline

C15H24N2 — CID 114066213

IUPAC4-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
SMILESCC[C@@H](N)c1ccc(N(C)CC2CC2C)cc1
InChIInChI=1S/C15H24N2/c1-4-15(16)12-5-7-14(8-6-12)17(3)10-13-9-11(13)2/h5-8,11,13,15H,4,9-10,16H2,1-3H3/t11?,13?,15-/m1/s1
InChIKeyPEXQQSLUHHHTJQ-ABIUDSBCSA-N
MW232.37 g/mol
LogP3.19
Rot. Bonds5

About 4-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline

4-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline (PubChem CID 114066213) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline.

Molecular Properties

Compound Name4-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
PubChem CID114066213
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline
SMILESCC[C@@H](N)c1ccc(N(C)CC2CC2C)cc1
InChIInChI=1S/C15H24N2/c1-4-15(16)12-5-7-14(8-6-12)17(3)10-13-9-11(13)2/h5-8,11,13,15H,4,9-10,16H2,1-3H3/t11?,13?,15-/m1/s1
InChIKeyPEXQQSLUHHHTJQ-ABIUDSBCSA-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

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-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline?
The IUPAC name of 4-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline (CID 114066213) is 4-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline.
What is the SMILES notation for 4-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline?
The canonical SMILES for 4-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline is CC[C@@H](N)c1ccc(N(C)CC2CC2C)cc1.
What is the InChIKey of 4-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline?
The InChIKey is PEXQQSLUHHHTJQ-ABIUDSBCSA-N. The full InChI is InChI=1S/C15H24N2/c1-4-15(16)12-5-7-14(8-6-12)17(3)10-13-9-11(13)2/h5-8,11,13,15H,4,9-10,16H2,1-3H3/t11?,13?,15-/m1/s1.
What are the key properties of 4-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline?
4-[(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 4-[(1R)-1-aminopropyl]-N-methyl-N-[(2-methylcyclopropyl)methyl]aniline is sourced from PubChem (CID 114066213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).