N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine

C13H29N3O — CID 155188422

IUPACN-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCNCCN1CCO[C@@H](CNCC(C)C)C1
InChIInChI=1S/C13H29N3O/c1-4-14-5-6-16-7-8-17-13(11-16)10-15-9-12(2)3/h12-15H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyYRQFLMNYWSNZFE-ZDUSSCGKSA-N
MW243.39 g/mol
LogP0.54
Rot. Bonds8

About N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine

N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 155188422) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID155188422
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCNCCN1CCO[C@@H](CNCC(C)C)C1
InChIInChI=1S/C13H29N3O/c1-4-14-5-6-16-7-8-17-13(11-16)10-15-9-12(2)3/h12-15H,4-11H2,1-3H3/t13-/m0/s1
InChIKeyYRQFLMNYWSNZFE-ZDUSSCGKSA-N
XLogP0.54
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[2-[(2S)-2-[(2-methylpropylamino)methyl]morpholin-4-yl]ethyl]propan-1-amine
CID 138728370
2-methyl-N-[[(2R)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 170057363
N-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 155707218
2-methyl-N-[[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 167107358
N-[[4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 163400398
ethane;2-methyl-N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 176933389
ethane;N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-N,2-dimethylpropan-1-amine;molecular hydrogen
CID 171539494
N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]butanamide
CID 155739567
N-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 138727616
N-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine
CID 154962749
N,2-dimethylpropan-1-amine;4-(4-methylpentyl)morpholine;2-methyl-N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]propan-1-amine
CID 171540599
N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]ethanamine
CID 155404677

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine (CID 155188422) is N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine is CCNCCN1CCO[C@@H](CNCC(C)C)C1.
What is the InChIKey of N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is YRQFLMNYWSNZFE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H29N3O/c1-4-14-5-6-16-7-8-17-13(11-16)10-15-9-12(2)3/h12-15H,4-11H2,1-3H3/t13-/m0/s1.
What are the key properties of N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine?
N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 0.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 155188422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).