4-(1-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide

C12H25N3O2 — CID 83106097

IUPAC4-(1-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCCC(CN)N1CCOCC1C(=O)NC(C)C
InChIInChI=1S/C12H25N3O2/c1-4-10(7-13)15-5-6-17-8-11(15)12(16)14-9(2)3/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyCLWOMJCNCGHZOK-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.05
Rot. Bonds5

About 4-(1-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide

4-(1-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 83106097) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(1-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(1-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID83106097
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name4-(1-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCCC(CN)N1CCOCC1C(=O)NC(C)C
InChIInChI=1S/C12H25N3O2/c1-4-10(7-13)15-5-6-17-8-11(15)12(16)14-9(2)3/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyCLWOMJCNCGHZOK-UHFFFAOYSA-N
XLogP-0.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N,4-di(propan-2-yl)morpholine-3-carboxamide
CID 140959044
N,4-di(propan-2-yl)morpholine-3-carboxamide
CID 118118161
4-(4-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106165
4-(1-aminopentan-3-yl)-N-methylmorpholine-3-carboxamide
CID 83106233
4-(1-aminopentan-3-yl)-N-ethylmorpholine-3-carboxamide
CID 83106656
4-(5-hydrazinyl-5-oxopentan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105965
4-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105075
4-[(2S,3S)-2-amino-3-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097667
3-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 83106391
4-[2-(aminomethyl)-4-methylpentanoyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83097281
4-[2-(butan-2-ylamino)acetyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83096882
ethyl 2-[3-(propan-2-ylcarbamoyl)morpholin-4-yl]acetate
CID 83103448

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-(1-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide (CID 83106097) is 4-(1-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(1-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-(1-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide is CCC(CN)N1CCOCC1C(=O)NC(C)C.
What is the InChIKey of 4-(1-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is CLWOMJCNCGHZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-10(7-13)15-5-6-17-8-11(15)12(16)14-9(2)3/h9-11H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of 4-(1-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide?
4-(1-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 243.35 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 83106097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).