2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]-N'-hydroxypropanimidamide

C14H21N3O2 — CID 104768583

IUPAC2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCC(/C(N)=N/O)N(C)CC1CCOc2ccccc21
InChIInChI=1S/C14H21N3O2/c1-10(14(15)16-18)17(2)9-11-7-8-19-13-6-4-3-5-12(11)13/h3-6,10-11,18H,7-9H2,1-2H3,(H2,15,16)
InChIKeyPUUBWYFYTFGNMN-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.62
Rot. Bonds4

About 2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]-N'-hydroxypropanimidamide

2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]-N'-hydroxypropanimidamide (PubChem CID 104768583) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]-N'-hydroxypropanimidamide
PubChem CID104768583
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]-N'-hydroxypropanimidamide
SMILESCC(/C(N)=N/O)N(C)CC1CCOc2ccccc21
InChIInChI=1S/C14H21N3O2/c1-10(14(15)16-18)17(2)9-11-7-8-19-13-6-4-3-5-12(11)13/h3-6,10-11,18H,7-9H2,1-2H3,(H2,15,16)
InChIKeyPUUBWYFYTFGNMN-UHFFFAOYSA-N
XLogP1.62
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]propan-1-ol
CID 113451391
2-[3,4-dihydro-2H-chromen-4-ylmethyl(propan-2-yl)amino]ethanol
CID 115880053
2-chloro-N-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpropan-1-amine
CID 104771323
1-(3,4-dihydro-2H-chromen-4-yl)butane-2,3-diol
CID 103452745
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
2-[cyclohexylmethyl(methyl)amino]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 112814762
N'-hydroxy-2-[methyl(oxan-4-ylmethyl)amino]propanimidamide
CID 76942680
4-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanoic acid
CID 104772492
3-(3,4-dihydro-2H-chromen-4-ylamino)-N'-hydroxybutanimidamide
CID 77028469
3-(3,4-dihydro-2H-chromen-4-yl)-2-fluoropropan-1-amine
CID 104772597
2-[3,4-dihydro-2H-chromen-4-ylmethyl(2-hydroxyethyl)amino]ethanol
CID 104770923

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]-N'-hydroxypropanimidamide?
The IUPAC name of 2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]-N'-hydroxypropanimidamide (CID 104768583) is 2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]-N'-hydroxypropanimidamide.
What is the SMILES notation for 2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]-N'-hydroxypropanimidamide?
The canonical SMILES for 2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]-N'-hydroxypropanimidamide is CC(/C(N)=N/O)N(C)CC1CCOc2ccccc21.
What is the InChIKey of 2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]-N'-hydroxypropanimidamide?
The InChIKey is PUUBWYFYTFGNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(14(15)16-18)17(2)9-11-7-8-19-13-6-4-3-5-12(11)13/h3-6,10-11,18H,7-9H2,1-2H3,(H2,15,16).
What are the key properties of 2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]-N'-hydroxypropanimidamide?
2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]-N'-hydroxypropanimidamide has a molecular weight of 263.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dihydro-2H-chromen-4-ylmethyl(methyl)amino]-N'-hydroxypropanimidamide is sourced from PubChem (CID 104768583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).