4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pentane-1,4-diamine

C13H28N2O — CID 62462719

IUPAC4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pentane-1,4-diamine
SMILESCOCCN(C(C)CCCN)C(C)C1CC1
InChIInChI=1S/C13H28N2O/c1-11(5-4-8-14)15(9-10-16-3)12(2)13-6-7-13/h11-13H,4-10,14H2,1-3H3
InChIKeyYTQNGPYRWLJHDW-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.86
Rot. Bonds9

About 4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pentane-1,4-diamine

4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pentane-1,4-diamine (PubChem CID 62462719) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pentane-1,4-diamine
PubChem CID62462719
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pentane-1,4-diamine
SMILESCOCCN(C(C)CCCN)C(C)C1CC1
InChIInChI=1S/C13H28N2O/c1-11(5-4-8-14)15(9-10-16-3)12(2)13-6-7-13/h11-13H,4-10,14H2,1-3H3
InChIKeyYTQNGPYRWLJHDW-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pentane-1,4-diamine?
The IUPAC name of 4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pentane-1,4-diamine (CID 62462719) is 4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pentane-1,4-diamine.
What is the SMILES notation for 4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pentane-1,4-diamine?
The canonical SMILES for 4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pentane-1,4-diamine is COCCN(C(C)CCCN)C(C)C1CC1.
What is the InChIKey of 4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pentane-1,4-diamine?
The InChIKey is YTQNGPYRWLJHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(5-4-8-14)15(9-10-16-3)12(2)13-6-7-13/h11-13H,4-10,14H2,1-3H3.
What are the key properties of 4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pentane-1,4-diamine?
4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pentane-1,4-diamine has a molecular weight of 228.38 g/mol, XLogP of 1.86, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pentane-1,4-diamine is sourced from PubChem (CID 62462719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).