N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine

C13H28N2O2 — CID 63741378

IUPACN-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine
SMILESCCN(CC1(CN)CCCOC1)C(C)COC
InChIInChI=1S/C13H28N2O2/c1-4-15(12(2)8-16-3)10-13(9-14)6-5-7-17-11-13/h12H,4-11,14H2,1-3H3
InChIKeyDISMBASYKXUJJT-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.10
Rot. Bonds7

About N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine

N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine (PubChem CID 63741378) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine
PubChem CID63741378
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC NameN-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine
SMILESCCN(CC1(CN)CCCOC1)C(C)COC
InChIInChI=1S/C13H28N2O2/c1-4-15(12(2)8-16-3)10-13(9-14)6-5-7-17-11-13/h12H,4-11,14H2,1-3H3
InChIKeyDISMBASYKXUJJT-UHFFFAOYSA-N
XLogP1.10
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-methoxy-N-methylpropan-2-amine
CID 62257645
N-[[3-[[ethyl(1-methoxypropan-2-yl)amino]methyl]oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 62258121
N-ethyl-1-methoxy-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62257952
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 55056543
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-(cyclopropylmethyl)propan-2-amine
CID 55241855
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine
CID 63740832
N-ethyl-1-methoxy-N-[[1-(methylaminomethyl)cyclopentyl]methyl]propan-2-amine
CID 62255890
N-ethyl-1-methoxy-N-[[4-(methylaminomethyl)oxan-4-yl]methyl]propan-2-amine
CID 62390798
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-propylpropan-1-amine
CID 63740110
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-1-methoxy-N-(2-methoxyethyl)propan-2-amine
CID 81171018
N-[[3-[[2-methoxyethyl(propan-2-yl)amino]methyl]oxan-3-yl]methyl]propan-2-amine
CID 82952450
2-N-ethyl-1-N,1-N-dimethyl-2-N-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]propane-1,2-diamine
CID 103191393

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine?
The IUPAC name of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine (CID 63741378) is N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine.
What is the SMILES notation for N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine?
The canonical SMILES for N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine is CCN(CC1(CN)CCCOC1)C(C)COC.
What is the InChIKey of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine?
The InChIKey is DISMBASYKXUJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-15(12(2)8-16-3)10-13(9-14)6-5-7-17-11-13/h12H,4-11,14H2,1-3H3.
What are the key properties of N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine?
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine has a molecular weight of 244.38 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxan-3-yl]methyl]-N-ethyl-1-methoxypropan-2-amine is sourced from PubChem (CID 63741378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).