2-[cyclopropyl(methyl)amino]butanehydrazide

C8H17N3O — CID 63573257

IUPAC2-[cyclopropyl(methyl)amino]butanehydrazide
SMILESCCC(C(=O)NN)N(C)C1CC1
InChIInChI=1S/C8H17N3O/c1-3-7(8(12)10-9)11(2)6-4-5-6/h6-7H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyBSDKWVQCBCHZOD-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.15
Rot. Bonds4

About 2-[cyclopropyl(methyl)amino]butanehydrazide

2-[cyclopropyl(methyl)amino]butanehydrazide (PubChem CID 63573257) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]butanehydrazide.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]butanehydrazide
PubChem CID63573257
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-[cyclopropyl(methyl)amino]butanehydrazide
SMILESCCC(C(=O)NN)N(C)C1CC1
InChIInChI=1S/C8H17N3O/c1-3-7(8(12)10-9)11(2)6-4-5-6/h6-7H,3-5,9H2,1-2H3,(H,10,12)
InChIKeyBSDKWVQCBCHZOD-UHFFFAOYSA-N
XLogP-0.15
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-[methyl-(3-methylcyclohexyl)amino]butanehydrazide
CID 63584513
2-[cyclohexyl(methyl)amino]pentanehydrazide
CID 83047526
2-[cyclopropyl(2-methylpropyl)amino]butanehydrazide
CID 63584160
3-methoxy-2-[methyl-(4-methylcyclohexyl)amino]propanehydrazide
CID 103229662
(2S)-2-(dimethylamino)butanehydrazide
CID 30403559
2-[methyl(oxolan-3-yl)amino]pentanehydrazide
CID 83047683
2-[cyclobutyl(3-hydroxypropyl)amino]butanehydrazide
CID 102873674
2-[cyclopropyl(2-hydroxyethyl)amino]pentanehydrazide
CID 83047676
2-[cyclopropyl(2-methylpropyl)amino]pentanehydrazide
CID 83048058
2-[(4-tert-butylcyclohexyl)-methylamino]butanoic acid
CID 65067690
2-[bis(2-hydroxyethyl)amino]butanehydrazide
CID 63573033
2-[bis(2-methylpropyl)amino]butanehydrazide
CID 63585587

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]butanehydrazide?
The IUPAC name of 2-[cyclopropyl(methyl)amino]butanehydrazide (CID 63573257) is 2-[cyclopropyl(methyl)amino]butanehydrazide.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]butanehydrazide?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]butanehydrazide is CCC(C(=O)NN)N(C)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]butanehydrazide?
The InChIKey is BSDKWVQCBCHZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-3-7(8(12)10-9)11(2)6-4-5-6/h6-7H,3-5,9H2,1-2H3,(H,10,12).
What are the key properties of 2-[cyclopropyl(methyl)amino]butanehydrazide?
2-[cyclopropyl(methyl)amino]butanehydrazide has a molecular weight of 171.24 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]butanehydrazide is sourced from PubChem (CID 63573257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).