N-(1-amino-4-methylpentan-2-yl)-4-ethylmorpholine-2-carboxamide

C13H27N3O2 — CID 119587494

IUPACN-(1-amino-4-methylpentan-2-yl)-4-ethylmorpholine-2-carboxamide
SMILESCCN1CCOC(C(=O)NC(CN)CC(C)C)C1
InChIInChI=1S/C13H27N3O2/c1-4-16-5-6-18-12(9-16)13(17)15-11(8-14)7-10(2)3/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyMVKOELXBYNEUTG-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.20
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-4-ethylmorpholine-2-carboxamide

N-(1-amino-4-methylpentan-2-yl)-4-ethylmorpholine-2-carboxamide (PubChem CID 119587494) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-4-ethylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-4-ethylmorpholine-2-carboxamide
PubChem CID119587494
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-4-ethylmorpholine-2-carboxamide
SMILESCCN1CCOC(C(=O)NC(CN)CC(C)C)C1
InChIInChI=1S/C13H27N3O2/c1-4-16-5-6-18-12(9-16)13(17)15-11(8-14)7-10(2)3/h10-12H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyMVKOELXBYNEUTG-UHFFFAOYSA-N
XLogP0.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[2-(methylamino)ethyl]morpholine-2-carboxamide
CID 119502673
4-ethyl-N-[2-(ethylamino)ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119507639
4-ethylmorpholine-2-carboxylate
CID 127053688
1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-one
CID 79666840
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280
N-(1-amino-2-cyclopropylpropan-2-yl)-4-ethylmorpholine-2-carboxamide
CID 119574545
4-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)morpholine-2-carboxamide
CID 71856712
N-(4-aminocyclohexyl)-4-ethylmorpholine-2-carboxamide;dihydrochloride
CID 119477299
(2R)-4-ethyl-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]morpholine-2-carboxamide
CID 95909052
4-ethyl-N-[2-(4-hydroxyoxan-4-yl)ethyl]morpholine-2-carboxamide
CID 154743221
[(2R)-2-(aminomethyl)piperidin-1-yl]-[(2S)-4-ethylmorpholin-2-yl]methanone
CID 129414733
N-(1-amino-4-methylpentan-2-yl)cycloheptanecarboxamide
CID 63755259

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-ethylmorpholine-2-carboxamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-4-ethylmorpholine-2-carboxamide (CID 119587494) is N-(1-amino-4-methylpentan-2-yl)-4-ethylmorpholine-2-carboxamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-4-ethylmorpholine-2-carboxamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-4-ethylmorpholine-2-carboxamide is CCN1CCOC(C(=O)NC(CN)CC(C)C)C1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-4-ethylmorpholine-2-carboxamide?
The InChIKey is MVKOELXBYNEUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-16-5-6-18-12(9-16)13(17)15-11(8-14)7-10(2)3/h10-12H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-4-ethylmorpholine-2-carboxamide?
N-(1-amino-4-methylpentan-2-yl)-4-ethylmorpholine-2-carboxamide has a molecular weight of 257.38 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-4-ethylmorpholine-2-carboxamide is sourced from PubChem (CID 119587494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).