2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)propanamide

C14H29N3O2 — CID 102938963

IUPAC2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)N1CC(C)OC(CN)C1
InChIInChI=1S/C14H29N3O2/c1-6-14(4,5)16-13(18)11(3)17-8-10(2)19-12(7-15)9-17/h10-12H,6-9,15H2,1-5H3,(H,16,18)
InChIKeyAAUSRVPYZRYKID-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.73
Rot. Bonds5

About 2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)propanamide

2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 102938963) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)propanamide
PubChem CID102938963
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)N1CC(C)OC(CN)C1
InChIInChI=1S/C14H29N3O2/c1-6-14(4,5)16-13(18)11(3)17-8-10(2)19-12(7-15)9-17/h10-12H,6-9,15H2,1-5H3,(H,16,18)
InChIKeyAAUSRVPYZRYKID-UHFFFAOYSA-N
XLogP0.73
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)acetamide
CID 102938967
2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N,N-diethylpropanamide
CID 102938763
2-(3,5-dimethylpiperazin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 63874811
2-(3-amino-5-methylpiperidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 79993020
2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 55210355
2-[4-(aminomethyl)piperidin-1-yl]-N-(2-methylbutan-2-yl)propanamide;hydrochloride
CID 119909909
2-(3-aminopyrrolidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
CID 62068958
N-ethyl-2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]propanamide
CID 102935684
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 80507190
methyl 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoate
CID 103936716
N-(2-methylbutan-2-yl)-2-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]propanamide
CID 63847901
2-(2,6-dimethylmorpholin-4-yl)propanamide
CID 60644884

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)propanamide (CID 102938963) is 2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)N1CC(C)OC(CN)C1.
What is the InChIKey of 2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is AAUSRVPYZRYKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-6-14(4,5)16-13(18)11(3)17-8-10(2)19-12(7-15)9-17/h10-12H,6-9,15H2,1-5H3,(H,16,18).
What are the key properties of 2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)propanamide?
2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 271.40 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-methylmorpholin-4-yl]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 102938963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).