2-amino-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide

C9H21N3O2 — CID 81062306

IUPAC2-amino-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
SMILESCC(C)OCCN(C)CC(N)C(N)=O
InChIInChI=1S/C9H21N3O2/c1-7(2)14-5-4-12(3)6-8(10)9(11)13/h7-8H,4-6,10H2,1-3H3,(H2,11,13)
InChIKeyJGTHFJBBTQNKCW-UHFFFAOYSA-N
MW203.29 g/mol
LogP-0.84
Rot. Bonds7

About 2-amino-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide

2-amino-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide (PubChem CID 81062306) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-amino-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide.

Molecular Properties

Compound Name2-amino-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
PubChem CID81062306
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name2-amino-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide
SMILESCC(C)OCCN(C)CC(N)C(N)=O
InChIInChI=1S/C9H21N3O2/c1-7(2)14-5-4-12(3)6-8(10)9(11)13/h7-8H,4-6,10H2,1-3H3,(H2,11,13)
InChIKeyJGTHFJBBTQNKCW-UHFFFAOYSA-N
XLogP-0.84
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide?
The IUPAC name of 2-amino-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide (CID 81062306) is 2-amino-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide.
What is the SMILES notation for 2-amino-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide?
The canonical SMILES for 2-amino-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide is CC(C)OCCN(C)CC(N)C(N)=O.
What is the InChIKey of 2-amino-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide?
The InChIKey is JGTHFJBBTQNKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-7(2)14-5-4-12(3)6-8(10)9(11)13/h7-8H,4-6,10H2,1-3H3,(H2,11,13).
What are the key properties of 2-amino-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide?
2-amino-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide has a molecular weight of 203.29 g/mol, XLogP of -0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[methyl(2-propan-2-yloxyethyl)amino]propanamide is sourced from PubChem (CID 81062306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).