1-(3-morpholin-4-ylpropyl)cyclohexa-3,5-diene-1,2-diamine

C13H23N3O — CID 175315142

IUPAC1-(3-morpholin-4-ylpropyl)cyclohexa-3,5-diene-1,2-diamine
SMILESNC1C=CC=CC1(N)CCCN1CCOCC1
InChIInChI=1S/C13H23N3O/c14-12-4-1-2-5-13(12,15)6-3-7-16-8-10-17-11-9-16/h1-2,4-5,12H,3,6-11,14-15H2
InChIKeyVSPODHIRGUPZKI-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.25
Rot. Bonds4

About 1-(3-morpholin-4-ylpropyl)cyclohexa-3,5-diene-1,2-diamine

1-(3-morpholin-4-ylpropyl)cyclohexa-3,5-diene-1,2-diamine (PubChem CID 175315142) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)cyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)cyclohexa-3,5-diene-1,2-diamine
PubChem CID175315142
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(3-morpholin-4-ylpropyl)cyclohexa-3,5-diene-1,2-diamine
SMILESNC1C=CC=CC1(N)CCCN1CCOCC1
InChIInChI=1S/C13H23N3O/c14-12-4-1-2-5-13(12,15)6-3-7-16-8-10-17-11-9-16/h1-2,4-5,12H,3,6-11,14-15H2
InChIKeyVSPODHIRGUPZKI-UHFFFAOYSA-N
XLogP0.25
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropyl)cyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)cyclohexa-3,5-diene-1,2-diamine (CID 175315142) is 1-(3-morpholin-4-ylpropyl)cyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)cyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)cyclohexa-3,5-diene-1,2-diamine is NC1C=CC=CC1(N)CCCN1CCOCC1.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)cyclohexa-3,5-diene-1,2-diamine?
The InChIKey is VSPODHIRGUPZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c14-12-4-1-2-5-13(12,15)6-3-7-16-8-10-17-11-9-16/h1-2,4-5,12H,3,6-11,14-15H2.
What are the key properties of 1-(3-morpholin-4-ylpropyl)cyclohexa-3,5-diene-1,2-diamine?
1-(3-morpholin-4-ylpropyl)cyclohexa-3,5-diene-1,2-diamine has a molecular weight of 237.35 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)cyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 175315142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).