2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide

C16H33N3O2 — CID 107471820

IUPAC2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
SMILESCC(C)(C)CC(CN)C(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C16H33N3O2/c1-15(2,3)10-13(11-17)14(20)18-12-16(4,5)19-6-8-21-9-7-19/h13H,6-12,17H2,1-5H3,(H,18,20)
InChIKeyWJGFWDBXEDBFAY-UHFFFAOYSA-N
MW299.46 g/mol
LogP1.22
Rot. Bonds6

About 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide

2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide (PubChem CID 107471820) has the molecular formula C16H33N3O2 and a molecular weight of 299.46 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
PubChem CID107471820
Molecular FormulaC16H33N3O2
Molecular Weight299.46 g/mol
Exact Mass299.26
IUPAC Name2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide
SMILESCC(C)(C)CC(CN)C(=O)NCC(C)(C)N1CCOCC1
InChIInChI=1S/C16H33N3O2/c1-15(2,3)10-13(11-17)14(20)18-12-16(4,5)19-6-8-21-9-7-19/h13H,6-12,17H2,1-5H3,(H,18,20)
InChIKeyWJGFWDBXEDBFAY-UHFFFAOYSA-N
XLogP1.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-4,4-dimethyl-N-(2-morpholin-4-ylethyl)pentanamide
CID 107471024
(2R)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 78973489
(2S)-2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanamide;dihydrochloride
CID 119830220
2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)butanediamide
CID 61250157
2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfonylbutanamide
CID 61248281
2-(aminomethyl)-4,4-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)pentanamide
CID 107472675
4-tert-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51163379
2,2,2-trifluoro-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 62490413
3-[(2-methyl-2-morpholin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 55049600
7-amino-N-(2-methyl-2-morpholin-4-ylpropyl)heptanamide
CID 61248464
4-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxane-4-carboxamide
CID 115439421
3-chloro-2,2-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 63663829

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide?
The IUPAC name of 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide (CID 107471820) is 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide.
What is the SMILES notation for 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide?
The canonical SMILES for 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide is CC(C)(C)CC(CN)C(=O)NCC(C)(C)N1CCOCC1.
What is the InChIKey of 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide?
The InChIKey is WJGFWDBXEDBFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O2/c1-15(2,3)10-13(11-17)14(20)18-12-16(4,5)19-6-8-21-9-7-19/h13H,6-12,17H2,1-5H3,(H,18,20).
What are the key properties of 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide?
2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide has a molecular weight of 299.46 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)pentanamide is sourced from PubChem (CID 107471820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).