4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-3-methoxybutanamide

C12H25N3O2 — CID 107093488

IUPAC4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC(C)N(C)C1CC1
InChIInChI=1S/C12H25N3O2/c1-9(15(2)10-4-5-10)8-14-12(16)6-11(7-13)17-3/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyZGRUIFRKQPIYQI-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.05
Rot. Bonds8

About 4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-3-methoxybutanamide

4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-3-methoxybutanamide (PubChem CID 107093488) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-3-methoxybutanamide
PubChem CID107093488
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCC(C)N(C)C1CC1
InChIInChI=1S/C12H25N3O2/c1-9(15(2)10-4-5-10)8-14-12(16)6-11(7-13)17-3/h9-11H,4-8,13H2,1-3H3,(H,14,16)
InChIKeyZGRUIFRKQPIYQI-UHFFFAOYSA-N
XLogP-0.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

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Related Compounds

2-amino-N-[2-[2-[cyclopropyl(methyl)amino]propylamino]-2-oxoethyl]acetamide
CID 104872590
4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]butanamide;dihydrochloride
CID 119875597
4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]pentanamide
CID 106813359
4-amino-N-(2-ethoxypropyl)-3-methoxybutanamide
CID 103156665
N-[2-[cyclopropyl(methyl)amino]propyl]-5-hydroxypentanamide
CID 103895673
2-[1-(aminomethyl)cyclohexyl]-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide
CID 104844601
3-[[(4-amino-3-methoxybutanoyl)amino]methyl]-5-methylhexanoic acid
CID 103156074
2-(4-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide
CID 103814364
2-(4-aminopiperidin-1-yl)-N-[2-[cyclopropyl(methyl)amino]propyl]acetamide
CID 103814367
4-amino-N-(dicyclopropylmethyl)-3-methoxybutanamide
CID 103155504
4-amino-N-(2-aminoethyl)-3-methoxybutanamide
CID 103155547
4-amino-N-(2-cyclobutylethyl)-3-methoxybutanamide
CID 103156672

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-3-methoxybutanamide (CID 107093488) is 4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-3-methoxybutanamide is COC(CN)CC(=O)NCC(C)N(C)C1CC1.
What is the InChIKey of 4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-3-methoxybutanamide?
The InChIKey is ZGRUIFRKQPIYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9(15(2)10-4-5-10)8-14-12(16)6-11(7-13)17-3/h9-11H,4-8,13H2,1-3H3,(H,14,16).
What are the key properties of 4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-3-methoxybutanamide?
4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-3-methoxybutanamide has a molecular weight of 243.35 g/mol, XLogP of -0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-[cyclopropyl(methyl)amino]propyl]-3-methoxybutanamide is sourced from PubChem (CID 107093488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).