N-(2-aminoethyl)-2-[(3-butoxy-3-methylbutyl)amino]acetamide

C13H29N3O2 — CID 153398337

IUPACN-(2-aminoethyl)-2-[(3-butoxy-3-methylbutyl)amino]acetamide
SMILESCCCCOC(C)(C)CCNCC(=O)NCCN
InChIInChI=1S/C13H29N3O2/c1-4-5-10-18-13(2,3)6-8-15-11-12(17)16-9-7-14/h15H,4-11,14H2,1-3H3,(H,16,17)
InChIKeyCWXNISQOUCFZMP-UHFFFAOYSA-N
MW259.39 g/mol
LogP0.64
Rot. Bonds11

About N-(2-aminoethyl)-2-[(3-butoxy-3-methylbutyl)amino]acetamide

N-(2-aminoethyl)-2-[(3-butoxy-3-methylbutyl)amino]acetamide (PubChem CID 153398337) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-[(3-butoxy-3-methylbutyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-[(3-butoxy-3-methylbutyl)amino]acetamide
PubChem CID153398337
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC NameN-(2-aminoethyl)-2-[(3-butoxy-3-methylbutyl)amino]acetamide
SMILESCCCCOC(C)(C)CCNCC(=O)NCCN
InChIInChI=1S/C13H29N3O2/c1-4-5-10-18-13(2,3)6-8-15-11-12(17)16-9-7-14/h15H,4-11,14H2,1-3H3,(H,16,17)
InChIKeyCWXNISQOUCFZMP-UHFFFAOYSA-N
XLogP0.64
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 50.64
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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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-[(3-butoxy-3-methylbutyl)amino]acetamide?
The IUPAC name of N-(2-aminoethyl)-2-[(3-butoxy-3-methylbutyl)amino]acetamide (CID 153398337) is N-(2-aminoethyl)-2-[(3-butoxy-3-methylbutyl)amino]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-[(3-butoxy-3-methylbutyl)amino]acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-[(3-butoxy-3-methylbutyl)amino]acetamide is CCCCOC(C)(C)CCNCC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-[(3-butoxy-3-methylbutyl)amino]acetamide?
The InChIKey is CWXNISQOUCFZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-4-5-10-18-13(2,3)6-8-15-11-12(17)16-9-7-14/h15H,4-11,14H2,1-3H3,(H,16,17).
What are the key properties of N-(2-aminoethyl)-2-[(3-butoxy-3-methylbutyl)amino]acetamide?
N-(2-aminoethyl)-2-[(3-butoxy-3-methylbutyl)amino]acetamide has a molecular weight of 259.39 g/mol, XLogP of 0.64, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-[(3-butoxy-3-methylbutyl)amino]acetamide is sourced from PubChem (CID 153398337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).