N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine

C17H36N2O2 — CID 63739653

IUPACN-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
SMILESCCNCC1(CN(CCOC)C(CC)CC)CCCOC1
InChIInChI=1S/C17H36N2O2/c1-5-16(6-2)19(10-12-20-4)14-17(13-18-7-3)9-8-11-21-15-17/h16,18H,5-15H2,1-4H3
InChIKeyHBCDDCLKBXGNOW-UHFFFAOYSA-N
MW300.49 g/mol
LogP2.53
Rot. Bonds11

About N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine

N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine (PubChem CID 63739653) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine.

Molecular Properties

Compound NameN-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
PubChem CID63739653
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC NameN-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
SMILESCCNCC1(CN(CCOC)C(CC)CC)CCCOC1
InChIInChI=1S/C17H36N2O2/c1-5-16(6-2)19(10-12-20-4)14-17(13-18-7-3)9-8-11-21-15-17/h16,18H,5-15H2,1-4H3
InChIKeyHBCDDCLKBXGNOW-UHFFFAOYSA-N
XLogP2.53
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]butan-1-amine
CID 63741075
N-[[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 82952450
3-[[2-methoxyethyl(pentan-3-yl)amino]methyl]oxane-3-carbaldehyde
CID 63741331
2-[[3-(methylaminomethyl)oxan-3-yl]methyl-pentan-3-ylamino]ethanol
CID 63739818
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-methylbutan-2-amine
CID 55241656
N-[[3-[[ethyl(2-methoxyethyl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 55243988
N-ethyl-2-methoxy-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]ethanamine
CID 63739640
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-3-methoxy-N-methylpropan-1-amine
CID 55140311
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 62390646
N'-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63740667
2-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl-pentan-3-ylamino]ethanol
CID 62258789
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62262002

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine?
The IUPAC name of N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine (CID 63739653) is N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine.
What is the SMILES notation for N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine?
The canonical SMILES for N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine is CCNCC1(CN(CCOC)C(CC)CC)CCCOC1.
What is the InChIKey of N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine?
The InChIKey is HBCDDCLKBXGNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-5-16(6-2)19(10-12-20-4)14-17(13-18-7-3)9-8-11-21-15-17/h16,18H,5-15H2,1-4H3.
What are the key properties of N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine?
N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine has a molecular weight of 300.49 g/mol, XLogP of 2.53, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylaminomethyl)oxan-3-yl]methyl]-N-(2-methoxyethyl)pentan-3-amine is sourced from PubChem (CID 63739653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).