N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine

C15H24N4O — CID 63001740

IUPACN'-(2-methoxyethyl)-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine
SMILESCOCCN(C)CCNCc1nn(C)c2ccccc12
InChIInChI=1S/C15H24N4O/c1-18(10-11-20-3)9-8-16-12-14-13-6-4-5-7-15(13)19(2)17-14/h4-7,16H,8-12H2,1-3H3
InChIKeyYHRFLPXUHIBLAM-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.24
Rot. Bonds8

About N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine

N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine (PubChem CID 63001740) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine
PubChem CID63001740
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN'-(2-methoxyethyl)-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine
SMILESCOCCN(C)CCNCc1nn(C)c2ccccc12
InChIInChI=1S/C15H24N4O/c1-18(10-11-20-3)9-8-16-12-14-13-6-4-5-7-15(13)19(2)17-14/h4-7,16H,8-12H2,1-3H3
InChIKeyYHRFLPXUHIBLAM-UHFFFAOYSA-N
XLogP1.24
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine (CID 63001740) is N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine is COCCN(C)CCNCc1nn(C)c2ccccc12.
What is the InChIKey of N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine?
The InChIKey is YHRFLPXUHIBLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18(10-11-20-3)9-8-16-12-14-13-6-4-5-7-15(13)19(2)17-14/h4-7,16H,8-12H2,1-3H3.
What are the key properties of N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine?
N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine has a molecular weight of 276.38 g/mol, XLogP of 1.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-methyl-N-[(1-methylindazol-3-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 63001740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).