N-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine

C9H20N2O — CID 66723590

IUPACN-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine
SMILESCCN(CC)C[C@H]1COCCN1
InChIInChI=1S/C9H20N2O/c1-3-11(4-2)7-9-8-12-6-5-10-9/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyHGWUGHJZLKPTHL-VIFPVBQESA-N
MW172.27 g/mol
LogP0.32
Rot. Bonds4

About N-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine

N-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine (PubChem CID 66723590) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is N-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine
PubChem CID66723590
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC NameN-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine
SMILESCCN(CC)C[C@H]1COCCN1
InChIInChI=1S/C9H20N2O/c1-3-11(4-2)7-9-8-12-6-5-10-9/h9-10H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyHGWUGHJZLKPTHL-VIFPVBQESA-N
XLogP0.32
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(bromomethyl)morpholine
CID 70577689
2-ethoxy-N-methyl-N-(morpholin-3-ylmethyl)ethanamine
CID 81055770
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
3-(ethylsulfonylmethyl)morpholine
CID 84720172
trifluoromethyl N-ethyl-N-(morpholin-3-ylmethyl)carbamate
CID 123720044
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
3-(2-methylpropyl)morpholine
CID 20811826
N-ethyl-N-(piperazin-2-ylmethyl)ethanamine
CID 53437694
N-(2-methoxyethyl)-N-(morpholin-3-ylmethyl)propan-2-amine
CID 82951204
ethane;2-methyl-N-(morpholin-3-ylmethyl)butan-2-amine
CID 142596245
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
4-ethylsulfanyl-N-methyl-N-(morpholin-3-ylmethyl)aniline
CID 115237955

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine (CID 66723590) is N-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine is CCN(CC)C[C@H]1COCCN1.
What is the InChIKey of N-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine?
The InChIKey is HGWUGHJZLKPTHL-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-11(4-2)7-9-8-12-6-5-10-9/h9-10H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of N-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine?
N-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine has a molecular weight of 172.27 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine is sourced from PubChem (CID 66723590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).