1-cyclopropyl-N-(2-methoxyethyl)ethane-1,2-diamine

C8H18N2O — CID 62539719

IUPAC1-cyclopropyl-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCNC(CN)C1CC1
InChIInChI=1S/C8H18N2O/c1-11-5-4-10-8(6-9)7-2-3-7/h7-8,10H,2-6,9H2,1H3
InChIKeyHWKGLLZROOGKSB-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.04
Rot. Bonds6

About 1-cyclopropyl-N-(2-methoxyethyl)ethane-1,2-diamine

1-cyclopropyl-N-(2-methoxyethyl)ethane-1,2-diamine (PubChem CID 62539719) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2-methoxyethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(2-methoxyethyl)ethane-1,2-diamine
PubChem CID62539719
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name1-cyclopropyl-N-(2-methoxyethyl)ethane-1,2-diamine
SMILESCOCCNC(CN)C1CC1
InChIInChI=1S/C8H18N2O/c1-11-5-4-10-8(6-9)7-2-3-7/h7-8,10H,2-6,9H2,1H3
InChIKeyHWKGLLZROOGKSB-UHFFFAOYSA-N
XLogP-0.04
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.04
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 1-cyclopropyl-N-(2-methoxyethyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-(2-methoxyethyl)ethane-1,2-diamine (CID 62539719) is 1-cyclopropyl-N-(2-methoxyethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-(2-methoxyethyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-(2-methoxyethyl)ethane-1,2-diamine is COCCNC(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(2-methoxyethyl)ethane-1,2-diamine?
The InChIKey is HWKGLLZROOGKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-11-5-4-10-8(6-9)7-2-3-7/h7-8,10H,2-6,9H2,1H3.
What are the key properties of 1-cyclopropyl-N-(2-methoxyethyl)ethane-1,2-diamine?
1-cyclopropyl-N-(2-methoxyethyl)ethane-1,2-diamine has a molecular weight of 158.24 g/mol, XLogP of -0.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2-methoxyethyl)ethane-1,2-diamine is sourced from PubChem (CID 62539719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).