1-(3-cyclopropylimidazol-4-yl)-N-morpholin-4-ylethane-1,2-diamine

C12H21N5O — CID 83014002

IUPAC1-(3-cyclopropylimidazol-4-yl)-N-morpholin-4-ylethane-1,2-diamine
SMILESNCC(NN1CCOCC1)c1cncn1C1CC1
InChIInChI=1S/C12H21N5O/c13-7-11(15-16-3-5-18-6-4-16)12-8-14-9-17(12)10-1-2-10/h8-11,15H,1-7,13H2
InChIKeyZZAGUBSZFUOLFY-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.05
Rot. Bonds5

About 1-(3-cyclopropylimidazol-4-yl)-N-morpholin-4-ylethane-1,2-diamine

1-(3-cyclopropylimidazol-4-yl)-N-morpholin-4-ylethane-1,2-diamine (PubChem CID 83014002) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(3-cyclopropylimidazol-4-yl)-N-morpholin-4-ylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-cyclopropylimidazol-4-yl)-N-morpholin-4-ylethane-1,2-diamine
PubChem CID83014002
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name1-(3-cyclopropylimidazol-4-yl)-N-morpholin-4-ylethane-1,2-diamine
SMILESNCC(NN1CCOCC1)c1cncn1C1CC1
InChIInChI=1S/C12H21N5O/c13-7-11(15-16-3-5-18-6-4-16)12-8-14-9-17(12)10-1-2-10/h8-11,15H,1-7,13H2
InChIKeyZZAGUBSZFUOLFY-UHFFFAOYSA-N
XLogP0.05
TPSA68.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-N-morpholin-4-ylethane-1,2-diamine?
The IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-N-morpholin-4-ylethane-1,2-diamine (CID 83014002) is 1-(3-cyclopropylimidazol-4-yl)-N-morpholin-4-ylethane-1,2-diamine.
What is the SMILES notation for 1-(3-cyclopropylimidazol-4-yl)-N-morpholin-4-ylethane-1,2-diamine?
The canonical SMILES for 1-(3-cyclopropylimidazol-4-yl)-N-morpholin-4-ylethane-1,2-diamine is NCC(NN1CCOCC1)c1cncn1C1CC1.
What is the InChIKey of 1-(3-cyclopropylimidazol-4-yl)-N-morpholin-4-ylethane-1,2-diamine?
The InChIKey is ZZAGUBSZFUOLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c13-7-11(15-16-3-5-18-6-4-16)12-8-14-9-17(12)10-1-2-10/h8-11,15H,1-7,13H2.
What are the key properties of 1-(3-cyclopropylimidazol-4-yl)-N-morpholin-4-ylethane-1,2-diamine?
1-(3-cyclopropylimidazol-4-yl)-N-morpholin-4-ylethane-1,2-diamine has a molecular weight of 251.33 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylimidazol-4-yl)-N-morpholin-4-ylethane-1,2-diamine is sourced from PubChem (CID 83014002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).