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

C12H21N3O — CID 143641970

IUPAC1-(2-morpholin-4-ylethyl)cyclohexa-3,5-diene-1,2-diamine
SMILESNC1C=CC=CC1(N)CCN1CCOCC1
InChIInChI=1S/C12H21N3O/c13-11-3-1-2-4-12(11,14)5-6-15-7-9-16-10-8-15/h1-4,11H,5-10,13-14H2
InChIKeyYTHNDRALVMJCMA-UHFFFAOYSA-N
MW223.32 g/mol
LogP-0.14
Rot. Bonds3

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

1-(2-morpholin-4-ylethyl)cyclohexa-3,5-diene-1,2-diamine (PubChem CID 143641970) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)cyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)cyclohexa-3,5-diene-1,2-diamine
PubChem CID143641970
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-(2-morpholin-4-ylethyl)cyclohexa-3,5-diene-1,2-diamine
SMILESNC1C=CC=CC1(N)CCN1CCOCC1
InChIInChI=1S/C12H21N3O/c13-11-3-1-2-4-12(11,14)5-6-15-7-9-16-10-8-15/h1-4,11H,5-10,13-14H2
InChIKeyYTHNDRALVMJCMA-UHFFFAOYSA-N
XLogP-0.14
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)cyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-(2-morpholin-4-ylethyl)cyclohexa-3,5-diene-1,2-diamine (CID 143641970) is 1-(2-morpholin-4-ylethyl)cyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)cyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)cyclohexa-3,5-diene-1,2-diamine is NC1C=CC=CC1(N)CCN1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)cyclohexa-3,5-diene-1,2-diamine?
The InChIKey is YTHNDRALVMJCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c13-11-3-1-2-4-12(11,14)5-6-15-7-9-16-10-8-15/h1-4,11H,5-10,13-14H2.
What are the key properties of 1-(2-morpholin-4-ylethyl)cyclohexa-3,5-diene-1,2-diamine?
1-(2-morpholin-4-ylethyl)cyclohexa-3,5-diene-1,2-diamine has a molecular weight of 223.32 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)cyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 143641970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).