2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-methylpentanamide

C13H26N2O2 — CID 60847343

IUPAC2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCCCOCC1CC1
InChIInChI=1S/C13H26N2O2/c1-3-7-13(2,14)12(16)15-8-4-9-17-10-11-5-6-11/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyYLBRXDUIOOIOAG-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.44
Rot. Bonds9

About 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-methylpentanamide

2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-methylpentanamide (PubChem CID 60847343) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-methylpentanamide
PubChem CID60847343
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCCCOCC1CC1
InChIInChI=1S/C13H26N2O2/c1-3-7-13(2,14)12(16)15-8-4-9-17-10-11-5-6-11/h11H,3-10,14H2,1-2H3,(H,15,16)
InChIKeyYLBRXDUIOOIOAG-UHFFFAOYSA-N
XLogP1.44
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-methylpentanamide (CID 60847343) is 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-methylpentanamide is CCCC(C)(N)C(=O)NCCCOCC1CC1.
What is the InChIKey of 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-methylpentanamide?
The InChIKey is YLBRXDUIOOIOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-3-7-13(2,14)12(16)15-8-4-9-17-10-11-5-6-11/h11H,3-10,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-methylpentanamide?
2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-methylpentanamide has a molecular weight of 242.36 g/mol, XLogP of 1.44, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-methylpentanamide is sourced from PubChem (CID 60847343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).