N-[3,4-dihydro-2H-pyran-6-yl-(1-methylindazol-3-yl)methyl]ethanamine

C16H21N3O — CID 103128405

IUPACN-[3,4-dihydro-2H-pyran-6-yl-(1-methylindazol-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)c1nn(C)c2ccccc12
InChIInChI=1S/C16H21N3O/c1-3-17-16(14-10-6-7-11-20-14)15-12-8-4-5-9-13(12)19(2)18-15/h4-5,8-10,16-17H,3,6-7,11H2,1-2H3
InChIKeyBNBJGANRMQTUFR-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.92
Rot. Bonds4

About N-[3,4-dihydro-2H-pyran-6-yl-(1-methylindazol-3-yl)methyl]ethanamine

N-[3,4-dihydro-2H-pyran-6-yl-(1-methylindazol-3-yl)methyl]ethanamine (PubChem CID 103128405) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[3,4-dihydro-2H-pyran-6-yl-(1-methylindazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[3,4-dihydro-2H-pyran-6-yl-(1-methylindazol-3-yl)methyl]ethanamine
PubChem CID103128405
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[3,4-dihydro-2H-pyran-6-yl-(1-methylindazol-3-yl)methyl]ethanamine
SMILESCCNC(C1=CCCCO1)c1nn(C)c2ccccc12
InChIInChI=1S/C16H21N3O/c1-3-17-16(14-10-6-7-11-20-14)15-12-8-4-5-9-13(12)19(2)18-15/h4-5,8-10,16-17H,3,6-7,11H2,1-2H3
InChIKeyBNBJGANRMQTUFR-UHFFFAOYSA-N
XLogP2.92
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-benzothiophen-3-yl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102648959
N-[3,4-dihydro-2H-pyran-6-yl-(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 102804682
N-[(1-methylindazol-3-yl)-pyridin-3-ylmethyl]ethanamine
CID 103126252
N-[(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102649448
N-ethyl-1-(1-methylindazol-3-yl)butan-1-amine
CID 103125829
N-ethyl-1-(1-methylindazol-3-yl)octan-1-amine
CID 103126554
N-[2,3-dihydrofuran-5-yl-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 102653774
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 102648848
3-[3,4-dihydro-2H-pyran-6-yl(ethylamino)methyl]-N,N-dimethylaniline
CID 102649394
1-(3,4-dihydro-2H-pyran-6-yl)-1-isoquinolin-1-yl-N-methylmethanamine
CID 102647455
N-[3,4-dihydro-2H-pyran-6-yl-(1-phenylcyclopentyl)methyl]ethanamine
CID 102647409
N-[(1-methylindazol-3-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 103126319

Frequently Asked Questions

What is the IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(1-methylindazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[3,4-dihydro-2H-pyran-6-yl-(1-methylindazol-3-yl)methyl]ethanamine (CID 103128405) is N-[3,4-dihydro-2H-pyran-6-yl-(1-methylindazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[3,4-dihydro-2H-pyran-6-yl-(1-methylindazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[3,4-dihydro-2H-pyran-6-yl-(1-methylindazol-3-yl)methyl]ethanamine is CCNC(C1=CCCCO1)c1nn(C)c2ccccc12.
What is the InChIKey of N-[3,4-dihydro-2H-pyran-6-yl-(1-methylindazol-3-yl)methyl]ethanamine?
The InChIKey is BNBJGANRMQTUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-17-16(14-10-6-7-11-20-14)15-12-8-4-5-9-13(12)19(2)18-15/h4-5,8-10,16-17H,3,6-7,11H2,1-2H3.
What are the key properties of N-[3,4-dihydro-2H-pyran-6-yl-(1-methylindazol-3-yl)methyl]ethanamine?
N-[3,4-dihydro-2H-pyran-6-yl-(1-methylindazol-3-yl)methyl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,4-dihydro-2H-pyran-6-yl-(1-methylindazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 103128405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).