2-methyl-N-[2-[(2S)-2-[(2-methylpropylamino)methyl]morpholin-4-yl]ethyl]propan-1-amine

C15H33N3O — CID 138728370

IUPAC2-methyl-N-[2-[(2S)-2-[(2-methylpropylamino)methyl]morpholin-4-yl]ethyl]propan-1-amine
SMILESCC(C)CNCCN1CCO[C@@H](CNCC(C)C)C1
InChIInChI=1S/C15H33N3O/c1-13(2)9-16-5-6-18-7-8-19-15(12-18)11-17-10-14(3)4/h13-17H,5-12H2,1-4H3/t15-/m0/s1
InChIKeyKTEYVLXPGCXXJA-HNNXBMFYSA-N
MW271.45 g/mol
LogP1.18
Rot. Bonds9

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

2-methyl-N-[2-[(2S)-2-[(2-methylpropylamino)methyl]morpholin-4-yl]ethyl]propan-1-amine (PubChem CID 138728370) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is 2-methyl-N-[2-[(2S)-2-[(2-methylpropylamino)methyl]morpholin-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[(2S)-2-[(2-methylpropylamino)methyl]morpholin-4-yl]ethyl]propan-1-amine
PubChem CID138728370
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Name2-methyl-N-[2-[(2S)-2-[(2-methylpropylamino)methyl]morpholin-4-yl]ethyl]propan-1-amine
SMILESCC(C)CNCCN1CCO[C@@H](CNCC(C)C)C1
InChIInChI=1S/C15H33N3O/c1-13(2)9-16-5-6-18-7-8-19-15(12-18)11-17-10-14(3)4/h13-17H,5-12H2,1-4H3/t15-/m0/s1
InChIKeyKTEYVLXPGCXXJA-HNNXBMFYSA-N
XLogP1.18
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.18
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

N-[[(2S)-4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 155188422
2-methyl-N-[[(2R)-4-[2-(propylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 170057363
2-methyl-N-[[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 167107358
ethane;2-methyl-N-[[4-[2-(4-methylpentoxy)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 176933389
N-[[4-(2-butoxyethyl)morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 163400398
N-[[(2S)-4-[2-(4,4-dimethylpentoxy)ethyl]morpholin-2-yl]methyl]-2-methylpropan-1-amine
CID 138727616
N-[[4-[2-(ethylamino)ethyl]morpholin-2-yl]methyl]propan-1-amine
CID 155707218
N-methyl-N-[[(2R)-4-[2-(2-methylpropylamino)ethyl]morpholin-2-yl]methyl]-2-sulfanylpropanamide
CID 167243582
N-[2-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethyl]propan-2-amine
CID 154962749
2-methyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]propan-1-amine
CID 62973749
N-[2-[2-[[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]methyl]morpholin-4-yl]ethyl]propan-2-amine
CID 146245769
N,2-dimethylpropan-1-amine;4-(4-methylpentyl)morpholine;2-methyl-N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]propan-1-amine
CID 171540599

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(2S)-2-[(2-methylpropylamino)methyl]morpholin-4-yl]ethyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[(2S)-2-[(2-methylpropylamino)methyl]morpholin-4-yl]ethyl]propan-1-amine (CID 138728370) is 2-methyl-N-[2-[(2S)-2-[(2-methylpropylamino)methyl]morpholin-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[(2S)-2-[(2-methylpropylamino)methyl]morpholin-4-yl]ethyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[(2S)-2-[(2-methylpropylamino)methyl]morpholin-4-yl]ethyl]propan-1-amine is CC(C)CNCCN1CCO[C@@H](CNCC(C)C)C1.
What is the InChIKey of 2-methyl-N-[2-[(2S)-2-[(2-methylpropylamino)methyl]morpholin-4-yl]ethyl]propan-1-amine?
The InChIKey is KTEYVLXPGCXXJA-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H33N3O/c1-13(2)9-16-5-6-18-7-8-19-15(12-18)11-17-10-14(3)4/h13-17H,5-12H2,1-4H3/t15-/m0/s1.
What are the key properties of 2-methyl-N-[2-[(2S)-2-[(2-methylpropylamino)methyl]morpholin-4-yl]ethyl]propan-1-amine?
2-methyl-N-[2-[(2S)-2-[(2-methylpropylamino)methyl]morpholin-4-yl]ethyl]propan-1-amine has a molecular weight of 271.45 g/mol, XLogP of 1.18, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(2S)-2-[(2-methylpropylamino)methyl]morpholin-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 138728370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).