N'-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine

C13H29N3O — CID 79171078

IUPACN'-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCCN1CCOC(CN(C)CCNC(C)C)C1
InChIInChI=1S/C13H29N3O/c1-5-16-8-9-17-13(11-16)10-15(4)7-6-14-12(2)3/h12-14H,5-11H2,1-4H3
InChIKeyRDOFPLROQKUULV-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.64
Rot. Bonds7

About N'-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine

N'-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine (PubChem CID 79171078) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N'-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
PubChem CID79171078
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN'-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine
SMILESCCN1CCOC(CN(C)CCNC(C)C)C1
InChIInChI=1S/C13H29N3O/c1-5-16-8-9-17-13(11-16)10-15(4)7-6-14-12(2)3/h12-14H,5-11H2,1-4H3
InChIKeyRDOFPLROQKUULV-UHFFFAOYSA-N
XLogP0.64
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-N-methylpropan-1-amine
CID 142615879
N'-[(4-ethylmorpholin-2-yl)methyl]-N-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 79172350
N'-methyl-N'-(oxan-2-ylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 61436349
2-[(4-ethylmorpholin-2-yl)methyl-methylamino]acetonitrile
CID 78946650
3-N-[(4-ethylmorpholin-2-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
CID 79164421
N-[2-(2-ethylmorpholin-4-yl)ethyl]propan-2-amine
CID 60843262
N-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 79164867
N-(2-bromoethyl)-N-[(4-ethylmorpholin-2-yl)methyl]propan-2-amine
CID 80671513
3-[(4-ethylmorpholin-2-yl)methyl-methylamino]butanenitrile
CID 79164880
N,N'-diethyl-N'-[(4-ethylmorpholin-2-yl)methyl]ethane-1,2-diamine
CID 79171654
N-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine
CID 154962749
N-[(4-ethylmorpholin-2-yl)methyl]-N-methylethenamine
CID 169213885

Frequently Asked Questions

What is the IUPAC name of N'-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine (CID 79171078) is N'-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine is CCN1CCOC(CN(C)CCNC(C)C)C1.
What is the InChIKey of N'-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine?
The InChIKey is RDOFPLROQKUULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-5-16-8-9-17-13(11-16)10-15(4)7-6-14-12(2)3/h12-14H,5-11H2,1-4H3.
What are the key properties of N'-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine?
N'-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine has a molecular weight of 243.39 g/mol, XLogP of 0.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-ethylmorpholin-2-yl)methyl]-N'-methyl-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 79171078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).