4-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine

C14H25N3O — CID 154241019

IUPAC4-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine
SMILESCNC1(C2CCN(CCOC)C2)C=CC(N)=CC1
InChIInChI=1S/C14H25N3O/c1-16-14(6-3-13(15)4-7-14)12-5-8-17(11-12)9-10-18-2/h3-4,6,12,16H,5,7-11,15H2,1-2H3
InChIKeyXYZLQGZGOCLELJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP0.72
Rot. Bonds5

About 4-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine

4-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine (PubChem CID 154241019) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name4-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine
PubChem CID154241019
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine
SMILESCNC1(C2CCN(CCOC)C2)C=CC(N)=CC1
InChIInChI=1S/C14H25N3O/c1-16-14(6-3-13(15)4-7-14)12-5-8-17(11-12)9-10-18-2/h3-4,6,12,16H,5,7-11,15H2,1-2H3
InChIKeyXYZLQGZGOCLELJ-UHFFFAOYSA-N
XLogP0.72
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 4-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine (CID 154241019) is 4-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 4-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 4-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine is CNC1(C2CCN(CCOC)C2)C=CC(N)=CC1.
What is the InChIKey of 4-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine?
The InChIKey is XYZLQGZGOCLELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-16-14(6-3-13(15)4-7-14)12-5-8-17(11-12)9-10-18-2/h3-4,6,12,16H,5,7-11,15H2,1-2H3.
What are the key properties of 4-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine?
4-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine has a molecular weight of 251.37 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyethyl)pyrrolidin-3-yl]-4-N-methylcyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 154241019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).