2-[3-aminopropyl(propan-2-yl)amino]-N-(2-methoxyethyl)acetamide

C11H25N3O2 — CID 61487571

IUPAC2-[3-aminopropyl(propan-2-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(CCCN)C(C)C
InChIInChI=1S/C11H25N3O2/c1-10(2)14(7-4-5-12)9-11(15)13-6-8-16-3/h10H,4-9,12H2,1-3H3,(H,13,15)
InChIKeyMHTCCCGWIYYVKL-UHFFFAOYSA-N
MW231.34 g/mol
LogP-0.19
Rot. Bonds9

About 2-[3-aminopropyl(propan-2-yl)amino]-N-(2-methoxyethyl)acetamide

2-[3-aminopropyl(propan-2-yl)amino]-N-(2-methoxyethyl)acetamide (PubChem CID 61487571) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[3-aminopropyl(propan-2-yl)amino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[3-aminopropyl(propan-2-yl)amino]-N-(2-methoxyethyl)acetamide
PubChem CID61487571
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name2-[3-aminopropyl(propan-2-yl)amino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(CCCN)C(C)C
InChIInChI=1S/C11H25N3O2/c1-10(2)14(7-4-5-12)9-11(15)13-6-8-16-3/h10H,4-9,12H2,1-3H3,(H,13,15)
InChIKeyMHTCCCGWIYYVKL-UHFFFAOYSA-N
XLogP-0.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-aminoethyl(pentan-3-yl)amino]-N-(2-methoxyethyl)acetamide
CID 63763709
N-(3-aminopropyl)-2-[2-methoxyethyl(propan-2-yl)amino]-N-methylacetamide
CID 82949330
2-[3-aminopropyl(propan-2-yl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 54962103
N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43137377
N-(2-methoxyethyl)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-pentan-3-ylamino]acetamide
CID 55640369
1-[3-aminopropyl(propan-2-yl)amino]propan-2-one
CID 89029623
N'-[3-(2-methoxyethoxy)propyl]-N'-propan-2-ylpropane-1,3-diamine
CID 103409174
(2S)-2-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbutanamide
CID 61164170
2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2-methylpropyl)propanamide
CID 55171324
2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methoxyethyl)propanamide
CID 43137532
2-[2-methoxyethyl(propan-2-yl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 82951079
2-[2-aminoethyl(cyclobutyl)amino]-N-(2-methoxyethyl)acetamide
CID 102875295

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(propan-2-yl)amino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[3-aminopropyl(propan-2-yl)amino]-N-(2-methoxyethyl)acetamide (CID 61487571) is 2-[3-aminopropyl(propan-2-yl)amino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[3-aminopropyl(propan-2-yl)amino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[3-aminopropyl(propan-2-yl)amino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(CCCN)C(C)C.
What is the InChIKey of 2-[3-aminopropyl(propan-2-yl)amino]-N-(2-methoxyethyl)acetamide?
The InChIKey is MHTCCCGWIYYVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-10(2)14(7-4-5-12)9-11(15)13-6-8-16-3/h10H,4-9,12H2,1-3H3,(H,13,15).
What are the key properties of 2-[3-aminopropyl(propan-2-yl)amino]-N-(2-methoxyethyl)acetamide?
2-[3-aminopropyl(propan-2-yl)amino]-N-(2-methoxyethyl)acetamide has a molecular weight of 231.34 g/mol, XLogP of -0.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(propan-2-yl)amino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 61487571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).