N-[[1-[(2-ethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-1-amine

C17H34N2O — CID 62257159

IUPACN-[[1-[(2-ethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCOC(CC)C2)CCCCC1
InChIInChI=1S/C17H34N2O/c1-3-10-18-14-17(8-6-5-7-9-17)15-19-11-12-20-16(4-2)13-19/h16,18H,3-15H2,1-2H3
InChIKeyKXCBLFFKFQUAOF-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.05
Rot. Bonds7

About N-[[1-[(2-ethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-1-amine

N-[[1-[(2-ethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-1-amine (PubChem CID 62257159) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-[[1-[(2-ethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(2-ethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-1-amine
PubChem CID62257159
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-[[1-[(2-ethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1(CN2CCOC(CC)C2)CCCCC1
InChIInChI=1S/C17H34N2O/c1-3-10-18-14-17(8-6-5-7-9-17)15-19-11-12-20-16(4-2)13-19/h16,18H,3-15H2,1-2H3
InChIKeyKXCBLFFKFQUAOF-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[[1-(propylaminomethyl)cycloheptyl]methyl]morpholin-2-yl]methanol
CID 81213477
N-[[1-[(2-methylmorpholin-4-yl)methyl]cyclohexyl]methyl]ethanamine
CID 55051513
N-[[1-[(3-methylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 55051948
2-ethyl-4-[(3-ethylpiperidin-3-yl)methyl]morpholine
CID 63132829
N-[[3-[(2-ethylmorpholin-4-yl)methyl]oxan-3-yl]methyl]propan-2-amine
CID 63740129
N-[[1-[(3-methoxypiperidin-1-yl)methyl]cycloheptyl]methyl]propan-1-amine
CID 102967363
N-[[4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methyl]cyclopropanamine
CID 62391826
1-[1-[[1-(propylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol
CID 115967239
N-[[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine
CID 64581384
N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-1-amine
CID 103538858
N-[[4-[(3-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391828
[4-[(2-ethylmorpholin-4-yl)methyl]oxan-4-yl]methanol
CID 55067295

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-ethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(2-ethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-1-amine (CID 62257159) is N-[[1-[(2-ethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(2-ethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(2-ethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-1-amine is CCCNCC1(CN2CCOC(CC)C2)CCCCC1.
What is the InChIKey of N-[[1-[(2-ethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-1-amine?
The InChIKey is KXCBLFFKFQUAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-10-18-14-17(8-6-5-7-9-17)15-19-11-12-20-16(4-2)13-19/h16,18H,3-15H2,1-2H3.
What are the key properties of N-[[1-[(2-ethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-1-amine?
N-[[1-[(2-ethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-ethylmorpholin-4-yl)methyl]cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 62257159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).