2-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylbutanamide

C10H21N3O3 — CID 106235067

IUPAC2-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)NCCOCC(N)=O
InChIInChI=1S/C10H21N3O3/c1-7(2)8(5-11)10(15)13-3-4-16-6-9(12)14/h7-8H,3-6,11H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyNHPKVLHWJXQXEU-UHFFFAOYSA-N
MW231.30 g/mol
LogP-1.16
Rot. Bonds8

About 2-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylbutanamide

2-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylbutanamide (PubChem CID 106235067) has the molecular formula C10H21N3O3 and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylbutanamide
PubChem CID106235067
Molecular FormulaC10H21N3O3
Molecular Weight231.30 g/mol
Exact Mass231.16
IUPAC Name2-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylbutanamide
SMILESCC(C)C(CN)C(=O)NCCOCC(N)=O
InChIInChI=1S/C10H21N3O3/c1-7(2)8(5-11)10(15)13-3-4-16-6-9(12)14/h7-8H,3-6,11H2,1-2H3,(H2,12,14)(H,13,15)
InChIKeyNHPKVLHWJXQXEU-UHFFFAOYSA-N
XLogP-1.16
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylpropanamide
CID 106235091
2-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]propanamide
CID 106236536
2-(aminomethyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]-3-methylbutanamide
CID 114127194
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-cyano-3-methylbutanamide
CID 106236788
2-(aminomethyl)-N-[3-(2-hydroxyethoxy)propyl]-3-methylbutanamide
CID 106310631
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-(ethylamino)-2-methylpropanamide
CID 106236540
2-(aminomethyl)-N-(3-aminopropyl)-3-methylbutanamide
CID 65229477
methyl 3-[[2-(aminomethyl)-3-methylbutanoyl]amino]propanoate
CID 65228791
2-[2-[(3-amino-2-methylpropanoyl)amino]ethoxy]acetic acid
CID 79457207
N-[2-(2-amino-2-oxoethoxy)ethyl]-3-propan-2-yloxypropanamide
CID 169159444
2-[2-(2,3-dimethylbutanoylamino)ethoxy]acetic acid
CID 79456707
methyl 2-[[2-(aminomethyl)-3-methylbutanoyl]amino]acetate
CID 65229564

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylbutanamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylbutanamide (CID 106235067) is 2-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylbutanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylbutanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylbutanamide is CC(C)C(CN)C(=O)NCCOCC(N)=O.
What is the InChIKey of 2-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylbutanamide?
The InChIKey is NHPKVLHWJXQXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O3/c1-7(2)8(5-11)10(15)13-3-4-16-6-9(12)14/h7-8H,3-6,11H2,1-2H3,(H2,12,14)(H,13,15).
What are the key properties of 2-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylbutanamide?
2-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylbutanamide has a molecular weight of 231.30 g/mol, XLogP of -1.16, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(2-amino-2-oxoethoxy)ethyl]-3-methylbutanamide is sourced from PubChem (CID 106235067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).