N'-ethyl-N'-[(4-ethylmorpholin-2-yl)methyl]propane-1,3-diamine

C12H27N3O — CID 79164190

IUPACN'-ethyl-N'-[(4-ethylmorpholin-2-yl)methyl]propane-1,3-diamine
SMILESCCN(CCCN)CC1CN(CC)CCO1
InChIInChI=1S/C12H27N3O/c1-3-14(7-5-6-13)10-12-11-15(4-2)8-9-16-12/h12H,3-11,13H2,1-2H3
InChIKeyRORFPGVABVIUDC-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.38
Rot. Bonds7

About N'-ethyl-N'-[(4-ethylmorpholin-2-yl)methyl]propane-1,3-diamine

N'-ethyl-N'-[(4-ethylmorpholin-2-yl)methyl]propane-1,3-diamine (PubChem CID 79164190) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N'-ethyl-N'-[(4-ethylmorpholin-2-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[(4-ethylmorpholin-2-yl)methyl]propane-1,3-diamine
PubChem CID79164190
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN'-ethyl-N'-[(4-ethylmorpholin-2-yl)methyl]propane-1,3-diamine
SMILESCCN(CCCN)CC1CN(CC)CCO1
InChIInChI=1S/C12H27N3O/c1-3-14(7-5-6-13)10-12-11-15(4-2)8-9-16-12/h12H,3-11,13H2,1-2H3
InChIKeyRORFPGVABVIUDC-UHFFFAOYSA-N
XLogP0.38
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]propan-1-ol
CID 115666180
N,N'-diethyl-N'-[(4-ethylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79171654
N'-cyclopentyl-N'-[(4-ethylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79166706
3-[ethyl-[(4-ethylmorpholin-2-yl)methyl]amino]-2-methylpropanethioamide
CID 79164440
N-[(4-ethylmorpholin-2-yl)methyl]-N-methylpropan-1-amine
CID 142615879
3-[2-[(dimethylamino)methyl]morpholin-4-yl]propan-1-amine
CID 83831936
N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 107488358
2,4-diethylmorpholine
CID 58988021
N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]propan-2-amine
CID 80671513
N'-(2-methoxyethyl)-N'-[(4-methylmorpholin-2-yl)methyl]propane-1,3-diamine
CID 79171784
3-[(4-ethylmorpholin-2-yl)methyl-(2-methylpropyl)amino]propanethioamide
CID 79165346
N-[[(2R)-4-ethylmorpholin-2-yl]methyl]-N-methylpropanamide
CID 155582749

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[(4-ethylmorpholin-2-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-[(4-ethylmorpholin-2-yl)methyl]propane-1,3-diamine (CID 79164190) is N'-ethyl-N'-[(4-ethylmorpholin-2-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-[(4-ethylmorpholin-2-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-[(4-ethylmorpholin-2-yl)methyl]propane-1,3-diamine is CCN(CCCN)CC1CN(CC)CCO1.
What is the InChIKey of N'-ethyl-N'-[(4-ethylmorpholin-2-yl)methyl]propane-1,3-diamine?
The InChIKey is RORFPGVABVIUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-3-14(7-5-6-13)10-12-11-15(4-2)8-9-16-12/h12H,3-11,13H2,1-2H3.
What are the key properties of N'-ethyl-N'-[(4-ethylmorpholin-2-yl)methyl]propane-1,3-diamine?
N'-ethyl-N'-[(4-ethylmorpholin-2-yl)methyl]propane-1,3-diamine has a molecular weight of 229.37 g/mol, XLogP of 0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[(4-ethylmorpholin-2-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 79164190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).