2-[4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]propanehydrazide

C16H25N3O2 — CID 105351851

IUPAC2-[4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(CN(C)CC2CCCO2)cc1
InChIInChI=1S/C16H25N3O2/c1-12(16(20)18-17)14-7-5-13(6-8-14)10-19(2)11-15-4-3-9-21-15/h5-8,12,15H,3-4,9-11,17H2,1-2H3,(H,18,20)
InChIKeyFYLDHLSTZXZUGC-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.39
Rot. Bonds6

About 2-[4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]propanehydrazide

2-[4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]propanehydrazide (PubChem CID 105351851) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-[4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]propanehydrazide.

Molecular Properties

Compound Name2-[4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]propanehydrazide
PubChem CID105351851
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-[4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]propanehydrazide
SMILESCC(C(=O)NN)c1ccc(CN(C)CC2CCCO2)cc1
InChIInChI=1S/C16H25N3O2/c1-12(16(20)18-17)14-7-5-13(6-8-14)10-19(2)11-15-4-3-9-21-15/h5-8,12,15H,3-4,9-11,17H2,1-2H3,(H,18,20)
InChIKeyFYLDHLSTZXZUGC-UHFFFAOYSA-N
XLogP1.39
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.39
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

3-[methyl(oxolan-2-ylmethyl)amino]-2-phenylpropanehydrazide
CID 64566065
2-[4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]propanehydrazide
CID 105352093
4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzenecarbothioamide
CID 61431885
N-[[4-[[methyl(oxan-2-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62430129
2-[4-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]propanoic acid
CID 105346036
2-methyl-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 61436320
N-[[3-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 62436952
2-fluoro-5-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzoic acid
CID 107880722
N-[(4-hydrazinyl-3-nitrophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanamine
CID 62245323
2-fluoro-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 107693985
3-[(1R)-1-(4-bromophenyl)ethyl]-1-methyl-1-(oxolan-2-ylmethyl)urea
CID 122150742
2-fluoro-4-[[methyl(oxan-2-ylmethyl)amino]methyl]benzoic acid
CID 106699147

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]propanehydrazide?
The IUPAC name of 2-[4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]propanehydrazide (CID 105351851) is 2-[4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]propanehydrazide.
What is the SMILES notation for 2-[4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]propanehydrazide?
The canonical SMILES for 2-[4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]propanehydrazide is CC(C(=O)NN)c1ccc(CN(C)CC2CCCO2)cc1.
What is the InChIKey of 2-[4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]propanehydrazide?
The InChIKey is FYLDHLSTZXZUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(16(20)18-17)14-7-5-13(6-8-14)10-19(2)11-15-4-3-9-21-15/h5-8,12,15H,3-4,9-11,17H2,1-2H3,(H,18,20).
What are the key properties of 2-[4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]propanehydrazide?
2-[4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]propanehydrazide has a molecular weight of 291.40 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]propanehydrazide is sourced from PubChem (CID 105351851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).