2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methoxyethyl)propanamide

C12H25N3O2 — CID 43137532

IUPAC2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N(CCCN)C1CC1
InChIInChI=1S/C12H25N3O2/c1-10(12(16)14-7-9-17-2)15(8-3-6-13)11-4-5-11/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyNOJOOPACMKMHRR-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.05
Rot. Bonds9

About 2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methoxyethyl)propanamide

2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methoxyethyl)propanamide (PubChem CID 43137532) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methoxyethyl)propanamide
PubChem CID43137532
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)N(CCCN)C1CC1
InChIInChI=1S/C12H25N3O2/c1-10(12(16)14-7-9-17-2)15(8-3-6-13)11-4-5-11/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyNOJOOPACMKMHRR-UHFFFAOYSA-N
XLogP-0.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.05
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-[3-aminopropyl(cyclopentyl)amino]-N-propylpropanamide
CID 43137600
2-[3-aminopropyl(cyclopropyl)amino]-N-carbamoylpropanamide
CID 43137524
2-[(3-amino-3-sulfanylidenepropyl)-cyclopropylamino]-N-(3-methoxypropyl)propanamide
CID 54997625
2-[3-aminopropyl(cyclohexyl)amino]-N-ethylpropanamide
CID 43137645
2-[3-aminopropyl(cyclopropyl)amino]-N-cyclopentylpropanamide
CID 43137529
2-[3-aminopropyl(cyclobutyl)amino]-N-propan-2-ylpropanamide
CID 102875071
2-[3-aminopropyl(cyclopropyl)amino]-N-pentan-2-ylpropanamide
CID 43137511
2-[(3-aminophenyl)methyl-cyclopropylamino]-N-(2-methoxyethyl)propanamide
CID 43460860
2-[3-aminopropyl(cyclohexyl)amino]-N-tert-butylpropanamide
CID 43137650
N-(2-methoxyethyl)-2-[methyl-[4-(methylamino)cyclohexyl]amino]propanamide
CID 79122216
2-[(4-aminocyclohexyl)-propylamino]-N-propylpropanamide
CID 79112238
2-[3-aminopropyl(propan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 61487571

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methoxyethyl)propanamide (CID 43137532) is 2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)N(CCCN)C1CC1.
What is the InChIKey of 2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is NOJOOPACMKMHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-10(12(16)14-7-9-17-2)15(8-3-6-13)11-4-5-11/h10-11H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methoxyethyl)propanamide?
2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 243.35 g/mol, XLogP of -0.05, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(cyclopropyl)amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 43137532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).