2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine

C16H21N3O2 — CID 103901632

IUPAC2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine
SMILESCc1noc(CCNC2CC(C)(C)Oc3ccccc32)n1
InChIInChI=1S/C16H21N3O2/c1-11-18-15(21-19-11)8-9-17-13-10-16(2,3)20-14-7-5-4-6-12(13)14/h4-7,13,17H,8-10H2,1-3H3
InChIKeyLBZXLOFTGCLMML-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.81
Rot. Bonds4

About 2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine

2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine (PubChem CID 103901632) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine
PubChem CID103901632
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine
SMILESCc1noc(CCNC2CC(C)(C)Oc3ccccc32)n1
InChIInChI=1S/C16H21N3O2/c1-11-18-15(21-19-11)8-9-17-13-10-16(2,3)20-14-7-5-4-6-12(13)14/h4-7,13,17H,8-10H2,1-3H3
InChIKeyLBZXLOFTGCLMML-UHFFFAOYSA-N
XLogP2.81
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1H-indene-1,3-diamine
CID 106414514
2,2-dimethyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 104629206
2,2-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydrochromen-4-amine
CID 81141012
N'-cyclopropyl-N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-methylethane-1,2-diamine
CID 81142613
methyl 3-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]propanoate
CID 81137020
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-N'-ethyl-N'-propylethane-1,2-diamine
CID 103787781
N-(2-imidazol-1-ylethyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81136589
N-(3-butoxypropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115704436
2-[[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]methyl]phenol
CID 115697977
N-(2-methoxy-2-methylpropyl)-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 115728687
2,2-dimethyl-N-[(4-methyl-3-pyridinyl)methyl]-3,4-dihydrochromen-4-amine
CID 114955052
ethyl 2-[(2,2-dimethyl-3,4-dihydrochromen-4-yl)amino]acetate
CID 81136675

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine?
The IUPAC name of 2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine (CID 103901632) is 2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine.
What is the SMILES notation for 2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine?
The canonical SMILES for 2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine is Cc1noc(CCNC2CC(C)(C)Oc3ccccc32)n1.
What is the InChIKey of 2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine?
The InChIKey is LBZXLOFTGCLMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-18-15(21-19-11)8-9-17-13-10-16(2,3)20-14-7-5-4-6-12(13)14/h4-7,13,17H,8-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine?
2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine has a molecular weight of 287.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydrochromen-4-amine is sourced from PubChem (CID 103901632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).