3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide

C13H21N3O2 — CID 79630506

IUPAC3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide
SMILESCC(C)(CN(Cc1ccco1)C1CC1)C(=O)NN
InChIInChI=1S/C13H21N3O2/c1-13(2,12(17)15-14)9-16(10-5-6-10)8-11-4-3-7-18-11/h3-4,7,10H,5-6,8-9,14H2,1-2H3,(H,15,17)
InChIKeyOQRFZOYJSMUSMC-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.26
Rot. Bonds6

About 3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide

3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide (PubChem CID 79630506) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide
PubChem CID79630506
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide
SMILESCC(C)(CN(Cc1ccco1)C1CC1)C(=O)NN
InChIInChI=1S/C13H21N3O2/c1-13(2,12(17)15-14)9-16(10-5-6-10)8-11-4-3-7-18-11/h3-4,7,10H,5-6,8-9,14H2,1-2H3,(H,15,17)
InChIKeyOQRFZOYJSMUSMC-UHFFFAOYSA-N
XLogP1.26
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.26
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'}

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Related Compounds

N-cyclopropyl-N'-ethyl-N-(furan-2-ylmethyl)-2,2-dimethylpropane-1,3-diamine
CID 62259205
5-[[cyclopropyl(furan-2-ylmethyl)amino]methyl]thiophene-2-carbohydrazide
CID 63578588
1-N-cyclopropyl-1-N-(furan-2-ylmethyl)-3-N,4,4-trimethylpentane-1,3-diamine
CID 62623196
N-tert-butyl-N'-cyclopropyl-2-ethyl-N'-(furan-2-ylmethyl)-2-methylpropane-1,3-diamine
CID 62261273
N'-cyclopropyl-N'-(furan-2-ylmethyl)-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62556893
1-N-cyclopropyl-3-N-ethyl-1-N-(furan-2-ylmethyl)-4,4-dimethylpentane-1,3-diamine
CID 62623373
4-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylbutanenitrile
CID 65251772
3-[cyclopropyl(furan-2-ylmethyl)amino]-1-phenylpropan-1-one
CID 62612099
2-amino-N-cyclopropyl-3,3,3-trifluoro-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 79805488
2-carbamothioyl-N-cyclopropyl-N-(furan-2-ylmethyl)-2-methylbutanamide
CID 114292137
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)cyclopropanamine
CID 47023472
4-[cyclopropyl(furan-2-ylmethyl)amino]but-2-enoic acid
CID 76940913

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide (CID 79630506) is 3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide is CC(C)(CN(Cc1ccco1)C1CC1)C(=O)NN.
What is the InChIKey of 3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide?
The InChIKey is OQRFZOYJSMUSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,12(17)15-14)9-16(10-5-6-10)8-11-4-3-7-18-11/h3-4,7,10H,5-6,8-9,14H2,1-2H3,(H,15,17).
What are the key properties of 3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide?
3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide has a molecular weight of 251.33 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(furan-2-ylmethyl)amino]-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 79630506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).