2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbutanehydrazide

C13H27N3O2 — CID 63583142

IUPAC2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbutanehydrazide
SMILESCOCCN(C(C)C1CC1)C(C(=O)NN)C(C)C
InChIInChI=1S/C13H27N3O2/c1-9(2)12(13(17)15-14)16(7-8-18-4)10(3)11-5-6-11/h9-12H,5-8,14H2,1-4H3,(H,15,17)
InChIKeyZTIRVJFTHHWPTF-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.75
Rot. Bonds8

About 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbutanehydrazide

2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbutanehydrazide (PubChem CID 63583142) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbutanehydrazide.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbutanehydrazide
PubChem CID63583142
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbutanehydrazide
SMILESCOCCN(C(C)C1CC1)C(C(=O)NN)C(C)C
InChIInChI=1S/C13H27N3O2/c1-9(2)12(13(17)15-14)16(7-8-18-4)10(3)11-5-6-11/h9-12H,5-8,14H2,1-4H3,(H,15,17)
InChIKeyZTIRVJFTHHWPTF-UHFFFAOYSA-N
XLogP0.75
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbutanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylpropanehydrazide
CID 63584231
3-amino-2-[1-cyclopropylethyl(2-methoxyethyl)amino]propanoic acid
CID 64694814
4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]butanamide
CID 66429028
4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pentane-1,4-diamine
CID 62462719
3-[cyclopropyl(2-methoxyethyl)amino]-2-methylpropanehydrazide
CID 63583449
3-[butan-2-yl(2-methoxyethyl)amino]-2-methylbutanehydrazide
CID 79408378
2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine
CID 55004208
3-amino-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine
CID 104885141
2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)propanamide
CID 60948418
3-cyclobutyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea
CID 115642256
3-tert-butyl-1-(1-cyclopropylethyl)-1-(2-methoxyethyl)urea
CID 113256723
2-N-(1-cyclopropylethyl)-4-ethylsulfanyl-2-N-(2-methoxyethyl)butane-1,2-diamine
CID 116504058

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbutanehydrazide?
The IUPAC name of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbutanehydrazide (CID 63583142) is 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbutanehydrazide.
What is the SMILES notation for 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbutanehydrazide?
The canonical SMILES for 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbutanehydrazide is COCCN(C(C)C1CC1)C(C(=O)NN)C(C)C.
What is the InChIKey of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbutanehydrazide?
The InChIKey is ZTIRVJFTHHWPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-9(2)12(13(17)15-14)16(7-8-18-4)10(3)11-5-6-11/h9-12H,5-8,14H2,1-4H3,(H,15,17).
What are the key properties of 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbutanehydrazide?
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbutanehydrazide has a molecular weight of 257.38 g/mol, XLogP of 0.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbutanehydrazide is sourced from PubChem (CID 63583142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).