1-morpholin-4-ylcyclohexa-3,5-diene-1,2-diamine

C10H17N3O — CID 67307635

IUPAC1-morpholin-4-ylcyclohexa-3,5-diene-1,2-diamine
SMILESNC1C=CC=CC1(N)N1CCOCC1
InChIInChI=1S/C10H17N3O/c11-9-3-1-2-4-10(9,12)13-5-7-14-8-6-13/h1-4,9H,5-8,11-12H2
InChIKeyURIBIFLNZRIXQI-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.57
Rot. Bonds1

About 1-morpholin-4-ylcyclohexa-3,5-diene-1,2-diamine

1-morpholin-4-ylcyclohexa-3,5-diene-1,2-diamine (PubChem CID 67307635) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-morpholin-4-ylcyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-morpholin-4-ylcyclohexa-3,5-diene-1,2-diamine
PubChem CID67307635
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-morpholin-4-ylcyclohexa-3,5-diene-1,2-diamine
SMILESNC1C=CC=CC1(N)N1CCOCC1
InChIInChI=1S/C10H17N3O/c11-9-3-1-2-4-10(9,12)13-5-7-14-8-6-13/h1-4,9H,5-8,11-12H2
InChIKeyURIBIFLNZRIXQI-UHFFFAOYSA-N
XLogP-0.57
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylcyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-morpholin-4-ylcyclohexa-3,5-diene-1,2-diamine (CID 67307635) is 1-morpholin-4-ylcyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-morpholin-4-ylcyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-morpholin-4-ylcyclohexa-3,5-diene-1,2-diamine is NC1C=CC=CC1(N)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-ylcyclohexa-3,5-diene-1,2-diamine?
The InChIKey is URIBIFLNZRIXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c11-9-3-1-2-4-10(9,12)13-5-7-14-8-6-13/h1-4,9H,5-8,11-12H2.
What are the key properties of 1-morpholin-4-ylcyclohexa-3,5-diene-1,2-diamine?
1-morpholin-4-ylcyclohexa-3,5-diene-1,2-diamine has a molecular weight of 195.27 g/mol, XLogP of -0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylcyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 67307635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).