N-[[3-[(2-ethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine

C16H32N2O2 — CID 63740129

IUPACN-[[3-[(2-ethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine
SMILESCCC1CN(CC2(CNC(C)C)CCCOC2)CCO1
InChIInChI=1S/C16H32N2O2/c1-4-15-10-18(7-9-20-15)12-16(11-17-14(2)3)6-5-8-19-13-16/h14-15,17H,4-13H2,1-3H3
InChIKeyKROBGUWJZXXSJQ-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.89
Rot. Bonds6

About N-[[3-[(2-ethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine

N-[[3-[(2-ethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine (PubChem CID 63740129) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is N-[[3-[(2-ethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[(2-ethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine
PubChem CID63740129
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC NameN-[[3-[(2-ethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine
SMILESCCC1CN(CC2(CNC(C)C)CCCOC2)CCO1
InChIInChI=1S/C16H32N2O2/c1-4-15-10-18(7-9-20-15)12-16(11-17-14(2)3)6-5-8-19-13-16/h14-15,17H,4-13H2,1-3H3
InChIKeyKROBGUWJZXXSJQ-UHFFFAOYSA-N
XLogP1.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]propan-2-amine
CID 63740811
N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]propan-2-amine
CID 63742224
N-[[3-(azocan-1-ylmethyl)oxan-3-yl]methyl]propan-2-amine
CID 63740115
N-[[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)oxan-3-yl]methyl]propan-2-amine
CID 79934366
3-methyl-1-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]piperidin-4-ol
CID 114682063
[6-methyl-4-[[3-[(propan-2-ylamino)methyl]oxan-3-yl]methyl]morpholin-2-yl]methanol
CID 102936430
N-[[1-[(2-ethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-1-amine
CID 62257159
N-[[3-[(3,3-dimethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine
CID 63740510
[4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methanol
CID 55067295
[4-[[3-[(2-methylpropylamino)methyl]oxolan-3-yl]methyl]morpholin-2-yl]methanol
CID 81214333
N-[2-(2-ethylmorpholin-4-yl)ethyl]propan-2-amine
CID 60843262
N-[[4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391826

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-ethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[(2-ethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine (CID 63740129) is N-[[3-[(2-ethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[(2-ethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[(2-ethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine is CCC1CN(CC2(CNC(C)C)CCCOC2)CCO1.
What is the InChIKey of N-[[3-[(2-ethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine?
The InChIKey is KROBGUWJZXXSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-4-15-10-18(7-9-20-15)12-16(11-17-14(2)3)6-5-8-19-13-16/h14-15,17H,4-13H2,1-3H3.
What are the key properties of N-[[3-[(2-ethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine?
N-[[3-[(2-ethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine has a molecular weight of 284.44 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-ethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 63740129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).