2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide

C10H22N2O2 — CID 104759858

IUPAC2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide
SMILESCCC(CN)C(=O)NCCOC(C)C
InChIInChI=1S/C10H22N2O2/c1-4-9(7-11)10(13)12-5-6-14-8(2)3/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyUBYPJGLOZDHEDO-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.51
Rot. Bonds7

About 2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide

2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide (PubChem CID 104759858) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide
PubChem CID104759858
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide
SMILESCCC(CN)C(=O)NCCOC(C)C
InChIInChI=1S/C10H22N2O2/c1-4-9(7-11)10(13)12-5-6-14-8(2)3/h8-9H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyUBYPJGLOZDHEDO-UHFFFAOYSA-N
XLogP0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-3-methyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104761131
2-(aminomethyl)-N-(3-aminopropyl)butanamide
CID 65229428
methyl 3-[2-(aminomethyl)butanoylamino]propanoate
CID 65228741
2-propan-2-yloxyethylurea
CID 22179539
2-carbamothioyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104761678
ethyl N-(2-propan-2-yloxyethyl)carbamate
CID 14496147
2-(aminomethyl)-N-(2-methylbutyl)butanamide
CID 62691581
2-(aminomethyl)-2-ethyl-N-(2-propan-2-yloxyethyl)butanamide
CID 104759851
2-(aminomethyl)-N-(7-methyloctyl)butanamide
CID 65229476
2-(aminomethyl)-N-(6-hydroxyhexyl)butanamide
CID 107842589
5-[2-(aminomethyl)butanoylamino]-2-methylpentanoic acid
CID 104685698
ethyl 4-[2-(aminomethyl)butanoylamino]butanoate
CID 65228483

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide (CID 104759858) is 2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide is CCC(CN)C(=O)NCCOC(C)C.
What is the InChIKey of 2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide?
The InChIKey is UBYPJGLOZDHEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-4-9(7-11)10(13)12-5-6-14-8(2)3/h8-9H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide?
2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide has a molecular weight of 202.30 g/mol, XLogP of 0.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-propan-2-yloxyethyl)butanamide is sourced from PubChem (CID 104759858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).