3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide

C10H17N3O2 — CID 63578941

IUPAC3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide
SMILESCc1occc1CN(C)CCC(=O)NN
InChIInChI=1S/C10H17N3O2/c1-8-9(4-6-15-8)7-13(2)5-3-10(14)12-11/h4,6H,3,5,7,11H2,1-2H3,(H,12,14)
InChIKeyLONQIRBDGXMFGD-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.40
Rot. Bonds5

About 3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide

3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide (PubChem CID 63578941) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide.

Molecular Properties

Compound Name3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide
PubChem CID63578941
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide
SMILESCc1occc1CN(C)CCC(=O)NN
InChIInChI=1S/C10H17N3O2/c1-8-9(4-6-15-8)7-13(2)5-3-10(14)12-11/h4,6H,3,5,7,11H2,1-2H3,(H,12,14)
InChIKeyLONQIRBDGXMFGD-UHFFFAOYSA-N
XLogP0.40
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.40
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

2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61370638
2-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]furan-3-carbohydrazide
CID 63579482
N',N'-dimethyl-N-[2-[methyl-[(2-methylfuran-3-yl)methyl]amino]ethyl]ethane-1,2-diamine
CID 55089418
N,N'-dimethyl-N'-[(2-methylfuran-3-yl)methyl]butane-1,4-diamine
CID 61424069
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
N-(5-amino-2-methylphenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61426561
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-phenylethanone
CID 62036219
3-methyl-4-[methyl-[(2-methylfuran-3-yl)methyl]amino]but-2-enoic acid
CID 77006372
N-tert-butyl-N'-methyl-N'-[(2-methylfuran-3-yl)methyl]propane-1,3-diamine
CID 61426899
3-azido-N-methyl-N-[(2-methylfuran-3-yl)methyl]propan-1-amine
CID 61426945
N-(2-amino-5-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61426421
N-(5-amino-2-fluorophenyl)-2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61426513

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide?
The IUPAC name of 3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide (CID 63578941) is 3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide.
What is the SMILES notation for 3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide?
The canonical SMILES for 3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide is Cc1occc1CN(C)CCC(=O)NN.
What is the InChIKey of 3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide?
The InChIKey is LONQIRBDGXMFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8-9(4-6-15-8)7-13(2)5-3-10(14)12-11/h4,6H,3,5,7,11H2,1-2H3,(H,12,14).
What are the key properties of 3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide?
3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide has a molecular weight of 211.26 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanehydrazide is sourced from PubChem (CID 63578941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).