N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1-(oxolan-3-yl)ethane-1,2-diamine

C14H28N2O2 — CID 55004357

IUPACN-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCOCCN(C(C)C1CC1)C(CN)C1CCOC1
InChIInChI=1S/C14H28N2O2/c1-11(12-3-4-12)16(6-8-17-2)14(9-15)13-5-7-18-10-13/h11-14H,3-10,15H2,1-2H3
InChIKeyOSIICIWEWUYPAD-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.10
Rot. Bonds8

About N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1-(oxolan-3-yl)ethane-1,2-diamine

N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 55004357) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID55004357
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1-(oxolan-3-yl)ethane-1,2-diamine
SMILESCOCCN(C(C)C1CC1)C(CN)C1CCOC1
InChIInChI=1S/C14H28N2O2/c1-11(12-3-4-12)16(6-8-17-2)14(9-15)13-5-7-18-10-13/h11-14H,3-10,15H2,1-2H3
InChIKeyOSIICIWEWUYPAD-UHFFFAOYSA-N
XLogP1.10
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1-(oxolan-3-yl)ethane-1,2-diamine (CID 55004357) is N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1-(oxolan-3-yl)ethane-1,2-diamine is COCCN(C(C)C1CC1)C(CN)C1CCOC1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is OSIICIWEWUYPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(12-3-4-12)16(6-8-17-2)14(9-15)13-5-7-18-10-13/h11-14H,3-10,15H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1-(oxolan-3-yl)ethane-1,2-diamine?
N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 256.39 g/mol, XLogP of 1.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-(2-methoxyethyl)-1-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 55004357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).