N-cyclopropyl-N-(2-methoxyethyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine

C14H23N3O2 — CID 114937078

IUPACN-cyclopropyl-N-(2-methoxyethyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
SMILESCOCCN(C1CC1)C(CN)c1ccc(OC)nc1
InChIInChI=1S/C14H23N3O2/c1-18-8-7-17(12-4-5-12)13(9-15)11-3-6-14(19-2)16-10-11/h3,6,10,12-13H,4-5,7-9,15H2,1-2H3
InChIKeyDTSZKKDKENJBJL-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.20
Rot. Bonds8

About N-cyclopropyl-N-(2-methoxyethyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine

N-cyclopropyl-N-(2-methoxyethyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine (PubChem CID 114937078) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-cyclopropyl-N-(2-methoxyethyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N-(2-methoxyethyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
PubChem CID114937078
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-cyclopropyl-N-(2-methoxyethyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
SMILESCOCCN(C1CC1)C(CN)c1ccc(OC)nc1
InChIInChI=1S/C14H23N3O2/c1-18-8-7-17(12-4-5-12)13(9-15)11-3-6-14(19-2)16-10-11/h3,6,10,12-13H,4-5,7-9,15H2,1-2H3
InChIKeyDTSZKKDKENJBJL-UHFFFAOYSA-N
XLogP1.20
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2-methoxyethyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N-(2-methoxyethyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine (CID 114937078) is N-cyclopropyl-N-(2-methoxyethyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N-(2-methoxyethyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N-(2-methoxyethyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine is COCCN(C1CC1)C(CN)c1ccc(OC)nc1.
What is the InChIKey of N-cyclopropyl-N-(2-methoxyethyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine?
The InChIKey is DTSZKKDKENJBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-18-8-7-17(12-4-5-12)13(9-15)11-3-6-14(19-2)16-10-11/h3,6,10,12-13H,4-5,7-9,15H2,1-2H3.
What are the key properties of N-cyclopropyl-N-(2-methoxyethyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine?
N-cyclopropyl-N-(2-methoxyethyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine has a molecular weight of 265.36 g/mol, XLogP of 1.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2-methoxyethyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine is sourced from PubChem (CID 114937078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).