1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine

C18H30N2O2 — CID 22033765

IUPAC1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine
SMILESCCOC(OCC)C1(C(CN)NC(C)c2ccccc2)CC1
InChIInChI=1S/C18H30N2O2/c1-4-21-17(22-5-2)18(11-12-18)16(13-19)20-14(3)15-9-7-6-8-10-15/h6-10,14,16-17,20H,4-5,11-13,19H2,1-3H3
InChIKeyVOKPCRAZAWLMSK-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.84
Rot. Bonds10

About 1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine

1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine (PubChem CID 22033765) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine
PubChem CID22033765
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine
SMILESCCOC(OCC)C1(C(CN)NC(C)c2ccccc2)CC1
InChIInChI=1S/C18H30N2O2/c1-4-21-17(22-5-2)18(11-12-18)16(13-19)20-14(3)15-9-7-6-8-10-15/h6-10,14,16-17,20H,4-5,11-13,19H2,1-3H3
InChIKeyVOKPCRAZAWLMSK-UHFFFAOYSA-N
XLogP2.84
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine?
The IUPAC name of 1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine (CID 22033765) is 1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for 1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for 1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine is CCOC(OCC)C1(C(CN)NC(C)c2ccccc2)CC1.
What is the InChIKey of 1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine?
The InChIKey is VOKPCRAZAWLMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-4-21-17(22-5-2)18(11-12-18)16(13-19)20-14(3)15-9-7-6-8-10-15/h6-10,14,16-17,20H,4-5,11-13,19H2,1-3H3.
What are the key properties of 1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine?
1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine has a molecular weight of 306.45 g/mol, XLogP of 2.84, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(diethoxymethyl)cyclopropyl]-N-(1-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 22033765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).