N-[2-[2-(2-methoxyethoxy)ethoxy]-3-methylbutyl]cyclopropanamine

C13H27NO3 — CID 113427443

IUPACN-[2-[2-(2-methoxyethoxy)ethoxy]-3-methylbutyl]cyclopropanamine
SMILESCOCCOCCOC(CNC1CC1)C(C)C
InChIInChI=1S/C13H27NO3/c1-11(2)13(10-14-12-4-5-12)17-9-8-16-7-6-15-3/h11-14H,4-10H2,1-3H3
InChIKeyLJTYDKLHGCDCOW-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.44
Rot. Bonds11

About N-[2-[2-(2-methoxyethoxy)ethoxy]-3-methylbutyl]cyclopropanamine

N-[2-[2-(2-methoxyethoxy)ethoxy]-3-methylbutyl]cyclopropanamine (PubChem CID 113427443) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is N-[2-[2-(2-methoxyethoxy)ethoxy]-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[2-(2-methoxyethoxy)ethoxy]-3-methylbutyl]cyclopropanamine
PubChem CID113427443
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC NameN-[2-[2-(2-methoxyethoxy)ethoxy]-3-methylbutyl]cyclopropanamine
SMILESCOCCOCCOC(CNC1CC1)C(C)C
InChIInChI=1S/C13H27NO3/c1-11(2)13(10-14-12-4-5-12)17-9-8-16-7-6-15-3/h11-14H,4-10H2,1-3H3
InChIKeyLJTYDKLHGCDCOW-UHFFFAOYSA-N
XLogP1.44
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[2-[2-(2-methoxyethoxy)ethoxy]-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-[2-(2-methoxyethoxy)ethoxy]-3-methylbutyl]cyclopropanamine (CID 113427443) is N-[2-[2-(2-methoxyethoxy)ethoxy]-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-[2-(2-methoxyethoxy)ethoxy]-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-[2-(2-methoxyethoxy)ethoxy]-3-methylbutyl]cyclopropanamine is COCCOCCOC(CNC1CC1)C(C)C.
What is the InChIKey of N-[2-[2-(2-methoxyethoxy)ethoxy]-3-methylbutyl]cyclopropanamine?
The InChIKey is LJTYDKLHGCDCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-11(2)13(10-14-12-4-5-12)17-9-8-16-7-6-15-3/h11-14H,4-10H2,1-3H3.
What are the key properties of N-[2-[2-(2-methoxyethoxy)ethoxy]-3-methylbutyl]cyclopropanamine?
N-[2-[2-(2-methoxyethoxy)ethoxy]-3-methylbutyl]cyclopropanamine has a molecular weight of 245.36 g/mol, XLogP of 1.44, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-methoxyethoxy)ethoxy]-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 113427443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).