N-(2-methoxyethyl)-N-(7-methyltridecan-7-yl)cyclopropanamine

C20H41NO — CID 138672496

IUPACN-(2-methoxyethyl)-N-(7-methyltridecan-7-yl)cyclopropanamine
SMILESCCCCCCC(C)(CCCCCC)N(CCOC)C1CC1
InChIInChI=1S/C20H41NO/c1-5-7-9-11-15-20(3,16-12-10-8-6-2)21(17-18-22-4)19-13-14-19/h19H,5-18H2,1-4H3
InChIKeyIXBRJFBMXPWWFN-UHFFFAOYSA-N
MW311.55 g/mol
LogP5.80
Rot. Bonds15

About N-(2-methoxyethyl)-N-(7-methyltridecan-7-yl)cyclopropanamine

N-(2-methoxyethyl)-N-(7-methyltridecan-7-yl)cyclopropanamine (PubChem CID 138672496) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(7-methyltridecan-7-yl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(7-methyltridecan-7-yl)cyclopropanamine
PubChem CID138672496
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC NameN-(2-methoxyethyl)-N-(7-methyltridecan-7-yl)cyclopropanamine
SMILESCCCCCCC(C)(CCCCCC)N(CCOC)C1CC1
InChIInChI=1S/C20H41NO/c1-5-7-9-11-15-20(3,16-12-10-8-6-2)21(17-18-22-4)19-13-14-19/h19H,5-18H2,1-4H3
InChIKeyIXBRJFBMXPWWFN-UHFFFAOYSA-N
XLogP5.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methoxyethyl)-N-(7-methyltridecan-7-yl)cyclopropanamine?
The IUPAC name of N-(2-methoxyethyl)-N-(7-methyltridecan-7-yl)cyclopropanamine (CID 138672496) is N-(2-methoxyethyl)-N-(7-methyltridecan-7-yl)cyclopropanamine.
What is the SMILES notation for N-(2-methoxyethyl)-N-(7-methyltridecan-7-yl)cyclopropanamine?
The canonical SMILES for N-(2-methoxyethyl)-N-(7-methyltridecan-7-yl)cyclopropanamine is CCCCCCC(C)(CCCCCC)N(CCOC)C1CC1.
What is the InChIKey of N-(2-methoxyethyl)-N-(7-methyltridecan-7-yl)cyclopropanamine?
The InChIKey is IXBRJFBMXPWWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-5-7-9-11-15-20(3,16-12-10-8-6-2)21(17-18-22-4)19-13-14-19/h19H,5-18H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N-(7-methyltridecan-7-yl)cyclopropanamine?
N-(2-methoxyethyl)-N-(7-methyltridecan-7-yl)cyclopropanamine has a molecular weight of 311.55 g/mol, XLogP of 5.80, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(7-methyltridecan-7-yl)cyclopropanamine is sourced from PubChem (CID 138672496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).