N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine

C17H36N2O2 — CID 62257485

IUPACN-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCN(CC(C)C)CC1(CNC(C)(C)C)CCOC1
InChIInChI=1S/C17H36N2O2/c1-15(2)11-19(8-10-20-6)13-17(7-9-21-14-17)12-18-16(3,4)5/h15,18H,7-14H2,1-6H3
InChIKeyBQZLFZFLJTXPEP-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.39
Rot. Bonds9

About N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine

N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine (PubChem CID 62257485) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
PubChem CID62257485
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC NameN-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine
SMILESCOCCN(CC(C)C)CC1(CNC(C)(C)C)CCOC1
InChIInChI=1S/C17H36N2O2/c1-15(2)11-19(8-10-20-6)13-17(7-9-21-14-17)12-18-16(3,4)5/h15,18H,7-14H2,1-6H3
InChIKeyBQZLFZFLJTXPEP-UHFFFAOYSA-N
XLogP2.39
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 82952519
2-methyl-N-[[3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 81074248
N-ethyl-2-methoxy-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]ethanamine
CID 62259456
2-methyl-N-[[3-(2-methylpropyl)oxolan-3-yl]methyl]propan-2-amine
CID 62719213
2-methyl-N-[[3-[[propan-2-yl(propyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 62263490
N-[[3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 104566610
N'-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62257267
1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-ethylamino]-2-methylpropan-2-ol
CID 79377988
N-[[3-[[ethyl(2-methoxyethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 55243988
N-[[3-[[bis(2-methylpropyl)amino]methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62257834
1-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl-methylamino]-2-methylpropan-2-ol
CID 79379929
2-methyl-N-[[3-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 112664942

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine (CID 62257485) is N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine is COCCN(CC(C)C)CC1(CNC(C)(C)C)CCOC1.
What is the InChIKey of N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine?
The InChIKey is BQZLFZFLJTXPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-15(2)11-19(8-10-20-6)13-17(7-9-21-14-17)12-18-16(3,4)5/h15,18H,7-14H2,1-6H3.
What are the key properties of N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine?
N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine has a molecular weight of 300.49 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(tert-butylamino)methyl]oxolan-3-yl]methyl]-N-(2-methoxyethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 62257485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).