4-N-[2-(dimethylamino)ethyl]-2-methoxy-1-N,4-N-dimethylcyclohexa-1,3-diene-1,4-diamine

C13H25N3O — CID 144692979

IUPAC4-N-[2-(dimethylamino)ethyl]-2-methoxy-1-N,4-N-dimethylcyclohexa-1,3-diene-1,4-diamine
SMILESCNC1=C(OC)C=C(N(C)CCN(C)C)CC1
InChIInChI=1S/C13H25N3O/c1-14-12-7-6-11(10-13(12)17-5)16(4)9-8-15(2)3/h10,14H,6-9H2,1-5H3
InChIKeyCBYVSFWNTQNLQV-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.23
Rot. Bonds6

About 4-N-[2-(dimethylamino)ethyl]-2-methoxy-1-N,4-N-dimethylcyclohexa-1,3-diene-1,4-diamine

4-N-[2-(dimethylamino)ethyl]-2-methoxy-1-N,4-N-dimethylcyclohexa-1,3-diene-1,4-diamine (PubChem CID 144692979) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-2-methoxy-1-N,4-N-dimethylcyclohexa-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-2-methoxy-1-N,4-N-dimethylcyclohexa-1,3-diene-1,4-diamine
PubChem CID144692979
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-N-[2-(dimethylamino)ethyl]-2-methoxy-1-N,4-N-dimethylcyclohexa-1,3-diene-1,4-diamine
SMILESCNC1=C(OC)C=C(N(C)CCN(C)C)CC1
InChIInChI=1S/C13H25N3O/c1-14-12-7-6-11(10-13(12)17-5)16(4)9-8-15(2)3/h10,14H,6-9H2,1-5H3
InChIKeyCBYVSFWNTQNLQV-UHFFFAOYSA-N
XLogP1.23
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-methoxy-1-N,4-N-dimethylcyclohexa-1,3-diene-1,4-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-2-methoxy-1-N,4-N-dimethylcyclohexa-1,3-diene-1,4-diamine (CID 144692979) is 4-N-[2-(dimethylamino)ethyl]-2-methoxy-1-N,4-N-dimethylcyclohexa-1,3-diene-1,4-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-2-methoxy-1-N,4-N-dimethylcyclohexa-1,3-diene-1,4-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-2-methoxy-1-N,4-N-dimethylcyclohexa-1,3-diene-1,4-diamine is CNC1=C(OC)C=C(N(C)CCN(C)C)CC1.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-2-methoxy-1-N,4-N-dimethylcyclohexa-1,3-diene-1,4-diamine?
The InChIKey is CBYVSFWNTQNLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-14-12-7-6-11(10-13(12)17-5)16(4)9-8-15(2)3/h10,14H,6-9H2,1-5H3.
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-2-methoxy-1-N,4-N-dimethylcyclohexa-1,3-diene-1,4-diamine?
4-N-[2-(dimethylamino)ethyl]-2-methoxy-1-N,4-N-dimethylcyclohexa-1,3-diene-1,4-diamine has a molecular weight of 239.36 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-2-methoxy-1-N,4-N-dimethylcyclohexa-1,3-diene-1,4-diamine is sourced from PubChem (CID 144692979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).