N-[[4-[2-(2-methoxyethoxy)ethyl]morpholin-3-yl]methyl]propan-1-amine

C13H28N2O3 — CID 83100581

IUPACN-[[4-[2-(2-methoxyethoxy)ethyl]morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1CCOCCOC
InChIInChI=1S/C13H28N2O3/c1-3-4-14-11-13-12-18-8-6-15(13)5-7-17-10-9-16-2/h13-14H,3-12H2,1-2H3
InChIKeyCOQHFNGBOZQPTG-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.35
Rot. Bonds10

About N-[[4-[2-(2-methoxyethoxy)ethyl]morpholin-3-yl]methyl]propan-1-amine

N-[[4-[2-(2-methoxyethoxy)ethyl]morpholin-3-yl]methyl]propan-1-amine (PubChem CID 83100581) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[[4-[2-(2-methoxyethoxy)ethyl]morpholin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-[2-(2-methoxyethoxy)ethyl]morpholin-3-yl]methyl]propan-1-amine
PubChem CID83100581
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC NameN-[[4-[2-(2-methoxyethoxy)ethyl]morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1CCOCCOC
InChIInChI=1S/C13H28N2O3/c1-3-4-14-11-13-12-18-8-6-15(13)5-7-17-10-9-16-2/h13-14H,3-12H2,1-2H3
InChIKeyCOQHFNGBOZQPTG-UHFFFAOYSA-N
XLogP0.35
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylmorpholin-3-yl)methyl]propan-1-amine
CID 83100500
N-[[4-(2-butoxyethyl)morpholin-3-yl]methyl]cyclopropanamine
CID 83099766
3-ethyl-4-(2-methoxyethyl)morpholine
CID 157403746
N-[[4-(cyclopropylmethyl)morpholin-3-yl]methyl]propan-1-amine
CID 83100659
N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580938
1-[4-(3-methoxypropyl)morpholin-3-yl]-N-methylmethanamine
CID 83100394
N-[(4-butylmorpholin-3-yl)methyl]ethanamine
CID 83100321
N-[[1-(4-methoxybutyl)piperidin-2-yl]methyl]propan-1-amine
CID 113436916
N-[[4-[2-(4-methoxyphenoxy)ethyl]morpholin-3-yl]methyl]ethanamine
CID 83101803
N-[[4-[(4-chlorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83100002
N-methyl-1-(4-octylmorpholin-3-yl)methanamine
CID 83099737
N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83099915

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(2-methoxyethoxy)ethyl]morpholin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-[2-(2-methoxyethoxy)ethyl]morpholin-3-yl]methyl]propan-1-amine (CID 83100581) is N-[[4-[2-(2-methoxyethoxy)ethyl]morpholin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-[2-(2-methoxyethoxy)ethyl]morpholin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-[2-(2-methoxyethoxy)ethyl]morpholin-3-yl]methyl]propan-1-amine is CCCNCC1COCCN1CCOCCOC.
What is the InChIKey of N-[[4-[2-(2-methoxyethoxy)ethyl]morpholin-3-yl]methyl]propan-1-amine?
The InChIKey is COQHFNGBOZQPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-3-4-14-11-13-12-18-8-6-15(13)5-7-17-10-9-16-2/h13-14H,3-12H2,1-2H3.
What are the key properties of N-[[4-[2-(2-methoxyethoxy)ethyl]morpholin-3-yl]methyl]propan-1-amine?
N-[[4-[2-(2-methoxyethoxy)ethyl]morpholin-3-yl]methyl]propan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 0.35, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(2-methoxyethoxy)ethyl]morpholin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 83100581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).