4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]butanamide

C12H25N3O2 — CID 66429028

IUPAC4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]butanamide
SMILESCOCCN(C(CN)CC(N)=O)C(C)C1CC1
InChIInChI=1S/C12H25N3O2/c1-9(10-3-4-10)15(5-6-17-2)11(8-13)7-12(14)16/h9-11H,3-8,13H2,1-2H3,(H2,14,16)
InChIKeyWFKKZGDSQFQTFY-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.06
Rot. Bonds9

About 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]butanamide

4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]butanamide (PubChem CID 66429028) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]butanamide.

Molecular Properties

Compound Name4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]butanamide
PubChem CID66429028
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]butanamide
SMILESCOCCN(C(CN)CC(N)=O)C(C)C1CC1
InChIInChI=1S/C12H25N3O2/c1-9(10-3-4-10)15(5-6-17-2)11(8-13)7-12(14)16/h9-11H,3-8,13H2,1-2H3,(H2,14,16)
InChIKeyWFKKZGDSQFQTFY-UHFFFAOYSA-N
XLogP-0.06
TPSA81.58 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 ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-[1-cyclopropylethyl(2-methoxyethyl)amino]propanoic acid
CID 64694814
2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-4-methylsulfanylbutane-1,2-diamine
CID 55004208
2-[1-cyclopropylethyl(2-methoxyethyl)amino]-3-methylbutanehydrazide
CID 63583142
2-N-(1-cyclopropylethyl)-4-ethylsulfanyl-2-N-(2-methoxyethyl)butane-1,2-diamine
CID 116504058
4-N-(1-cyclopropylethyl)-4-N-(2-methoxyethyl)pentane-1,4-diamine
CID 62462719
2-N-(1-cyclopropylethyl)-2-N-(2-methoxyethyl)-1-N-methylpentane-1,2-diamine
CID 83054207
N'-(1-cyclopropylethyl)-N'-(2-methoxyethyl)-2-methylbutane-1,4-diamine
CID 81079207
2-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)propanamide
CID 60948418
1-(4-bromo-3-methylphenyl)-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 66472244
4-amino-3-[2-methoxyethyl(1-methoxypropan-2-yl)amino]-N-propan-2-ylbutanamide
CID 66432620
3-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-methylpropanehydrazide
CID 63584231
4-amino-N-tert-butyl-3-[2-methoxyethyl(propan-2-yl)amino]butanamide
CID 82948851

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]butanamide?
The IUPAC name of 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]butanamide (CID 66429028) is 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]butanamide.
What is the SMILES notation for 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]butanamide?
The canonical SMILES for 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]butanamide is COCCN(C(CN)CC(N)=O)C(C)C1CC1.
What is the InChIKey of 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]butanamide?
The InChIKey is WFKKZGDSQFQTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9(10-3-4-10)15(5-6-17-2)11(8-13)7-12(14)16/h9-11H,3-8,13H2,1-2H3,(H2,14,16).
What are the key properties of 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]butanamide?
4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]butanamide has a molecular weight of 243.35 g/mol, XLogP of -0.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[1-cyclopropylethyl(2-methoxyethyl)amino]butanamide is sourced from PubChem (CID 66429028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).