N-methylpropan-2-amine;3-(2-methylpropyl)chromen-2-one;molecular hydrogen

C17H27NO2 — CID 170712291

IUPACN-methylpropan-2-amine;3-(2-methylpropyl)chromen-2-one;molecular hydrogen
SMILESCC(C)Cc1cc2ccccc2oc1=O.CNC(C)C.[H][H]
InChIInChI=1S/C13H14O2.C4H11N.H2/c1-9(2)7-11-8-10-5-3-4-6-12(10)15-13(11)14;1-4(2)5-3;/h3-6,8-9H,7H2,1-2H3;4-5H,1-3H3;1H
InChIKeyIVJALHKEMMUCOI-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.85
Rot. Bonds3

About N-methylpropan-2-amine;3-(2-methylpropyl)chromen-2-one;molecular hydrogen

N-methylpropan-2-amine;3-(2-methylpropyl)chromen-2-one;molecular hydrogen (PubChem CID 170712291) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-methylpropan-2-amine;3-(2-methylpropyl)chromen-2-one;molecular hydrogen.

Molecular Properties

Compound NameN-methylpropan-2-amine;3-(2-methylpropyl)chromen-2-one;molecular hydrogen
PubChem CID170712291
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-methylpropan-2-amine;3-(2-methylpropyl)chromen-2-one;molecular hydrogen
SMILESCC(C)Cc1cc2ccccc2oc1=O.CNC(C)C.[H][H]
InChIInChI=1S/C13H14O2.C4H11N.H2/c1-9(2)7-11-8-10-5-3-4-6-12(10)15-13(11)14;1-4(2)5-3;/h3-6,8-9H,7H2,1-2H3;4-5H,1-3H3;1H
InChIKeyIVJALHKEMMUCOI-UHFFFAOYSA-N
XLogP3.85
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

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CID 22921481
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CID 132548906
2-(2-oxochromen-3-yl)acetyl bromide
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3-(2-bromoethyl)chromen-2-one;methanamine
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CID 87103222
1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 79444773
3-[(2-hydroxy-5-methylphenyl)methyl]chromen-2-one
CID 10355547
[(2-oxochromen-3-yl)methylamino]methanesulfonic acid
CID 167094488
3-di(propan-2-yloxy)phosphorylchromen-2-one
CID 132918495
3-(butylamino)chromen-2-one
CID 154352647

Frequently Asked Questions

What is the IUPAC name of N-methylpropan-2-amine;3-(2-methylpropyl)chromen-2-one;molecular hydrogen?
The IUPAC name of N-methylpropan-2-amine;3-(2-methylpropyl)chromen-2-one;molecular hydrogen (CID 170712291) is N-methylpropan-2-amine;3-(2-methylpropyl)chromen-2-one;molecular hydrogen.
What is the SMILES notation for N-methylpropan-2-amine;3-(2-methylpropyl)chromen-2-one;molecular hydrogen?
The canonical SMILES for N-methylpropan-2-amine;3-(2-methylpropyl)chromen-2-one;molecular hydrogen is CC(C)Cc1cc2ccccc2oc1=O.CNC(C)C.[H][H].
What is the InChIKey of N-methylpropan-2-amine;3-(2-methylpropyl)chromen-2-one;molecular hydrogen?
The InChIKey is IVJALHKEMMUCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2.C4H11N.H2/c1-9(2)7-11-8-10-5-3-4-6-12(10)15-13(11)14;1-4(2)5-3;/h3-6,8-9H,7H2,1-2H3;4-5H,1-3H3;1H.
What are the key properties of N-methylpropan-2-amine;3-(2-methylpropyl)chromen-2-one;molecular hydrogen?
N-methylpropan-2-amine;3-(2-methylpropyl)chromen-2-one;molecular hydrogen has a molecular weight of 277.41 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpropan-2-amine;3-(2-methylpropyl)chromen-2-one;molecular hydrogen is sourced from PubChem (CID 170712291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).