3-amino-N-(3-hydroxypropyl)-3-methylbutanamide

C8H18N2O2 — CID 14210775

IUPAC3-amino-N-(3-hydroxypropyl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)NCCCO
InChIInChI=1S/C8H18N2O2/c1-8(2,9)6-7(12)10-4-3-5-11/h11H,3-6,9H2,1-2H3,(H,10,12)
InChIKeyKLDYDLMPDWKUMS-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.39
Rot. Bonds5

About 3-amino-N-(3-hydroxypropyl)-3-methylbutanamide

3-amino-N-(3-hydroxypropyl)-3-methylbutanamide (PubChem CID 14210775) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 3-amino-N-(3-hydroxypropyl)-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(3-hydroxypropyl)-3-methylbutanamide
PubChem CID14210775
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name3-amino-N-(3-hydroxypropyl)-3-methylbutanamide
SMILESCC(C)(N)CC(=O)NCCCO
InChIInChI=1S/C8H18N2O2/c1-8(2,9)6-7(12)10-4-3-5-11/h11H,3-6,9H2,1-2H3,(H,10,12)
InChIKeyKLDYDLMPDWKUMS-UHFFFAOYSA-N
XLogP-0.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-hydroxypropyl)-3-methylbutanamide?
The IUPAC name of 3-amino-N-(3-hydroxypropyl)-3-methylbutanamide (CID 14210775) is 3-amino-N-(3-hydroxypropyl)-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-(3-hydroxypropyl)-3-methylbutanamide?
The canonical SMILES for 3-amino-N-(3-hydroxypropyl)-3-methylbutanamide is CC(C)(N)CC(=O)NCCCO.
What is the InChIKey of 3-amino-N-(3-hydroxypropyl)-3-methylbutanamide?
The InChIKey is KLDYDLMPDWKUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-8(2,9)6-7(12)10-4-3-5-11/h11H,3-6,9H2,1-2H3,(H,10,12).
What are the key properties of 3-amino-N-(3-hydroxypropyl)-3-methylbutanamide?
3-amino-N-(3-hydroxypropyl)-3-methylbutanamide has a molecular weight of 174.24 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-hydroxypropyl)-3-methylbutanamide is sourced from PubChem (CID 14210775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).