N,N-dimethyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine

C17H27N3O2 — CID 118747168

IUPACN,N-dimethyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine
SMILESCN(C)CCOCc1cncc2c1CCN(C1CCOC1)C2
InChIInChI=1S/C17H27N3O2/c1-19(2)6-8-22-12-15-10-18-9-14-11-20(5-3-17(14)15)16-4-7-21-13-16/h9-10,16H,3-8,11-13H2,1-2H3
InChIKeyCMDMRHBVMQIGQD-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.31
Rot. Bonds6

About N,N-dimethyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine

N,N-dimethyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine (PubChem CID 118747168) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N,N-dimethyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine
PubChem CID118747168
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN,N-dimethyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine
SMILESCN(C)CCOCc1cncc2c1CCN(C1CCOC1)C2
InChIInChI=1S/C17H27N3O2/c1-19(2)6-8-22-12-15-10-18-9-14-11-20(5-3-17(14)15)16-4-7-21-13-16/h9-10,16H,3-8,11-13H2,1-2H3
InChIKeyCMDMRHBVMQIGQD-UHFFFAOYSA-N
XLogP1.31
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-((2-(Dimethylamino)propoxy)methyl)pyridine
CID 3025107
Pyridine, 3-((2-(diethylamino)propoxy)methyl)-
CID 3025103
5-(methoxymethyl)-2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-2,7-naphthyridine
CID 97381914
2-ethylsulfonyl-5-(methoxymethyl)-3,4-dihydro-1H-2,7-naphthyridine
CID 97381927
5-(cyclopropylmethoxymethyl)-N,N-dimethyl-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 97406097
5-(ethoxymethyl)-2-propylsulfonyl-3,4-dihydro-1H-2,7-naphthyridine
CID 97463729
5-(2-methylpropoxymethyl)-2-[(1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-2,7-naphthyridine
CID 97463731
N,N-dimethyl-2-[[7-(pyridin-2-ylmethyl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine
CID 97463743
N,N-dimethyl-2-[[7-(oxan-4-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine
CID 97463756
2-[(7-ethylsulfonyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylethanamine
CID 97463758
[5-[2-(dimethylamino)ethoxymethyl]-3,4-dihydro-1H-2,7-naphthyridin-2-yl]-(oxan-4-yl)methanone
CID 97463759
2-[(7-benzyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl)methoxy]-N,N-dimethylacetamide
CID 97463788

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine (CID 118747168) is N,N-dimethyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine is CN(C)CCOCc1cncc2c1CCN(C1CCOC1)C2.
What is the InChIKey of N,N-dimethyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine?
The InChIKey is CMDMRHBVMQIGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-19(2)6-8-22-12-15-10-18-9-14-11-20(5-3-17(14)15)16-4-7-21-13-16/h9-10,16H,3-8,11-13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine?
N,N-dimethyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine has a molecular weight of 305.42 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[7-(oxolan-3-yl)-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methoxy]ethanamine is sourced from PubChem (CID 118747168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).