2-[2-aminoethyl(propyl)amino]-N-(oxan-4-yl)acetamide

C12H25N3O2 — CID 63099178

IUPAC2-[2-aminoethyl(propyl)amino]-N-(oxan-4-yl)acetamide
SMILESCCCN(CCN)CC(=O)NC1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-2-6-15(7-5-13)10-12(16)14-11-3-8-17-9-4-11/h11H,2-10,13H2,1H3,(H,14,16)
InChIKeyMTHYUNZGQQUTJS-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.05
Rot. Bonds7

About 2-[2-aminoethyl(propyl)amino]-N-(oxan-4-yl)acetamide

2-[2-aminoethyl(propyl)amino]-N-(oxan-4-yl)acetamide (PubChem CID 63099178) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[2-aminoethyl(propyl)amino]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[2-aminoethyl(propyl)amino]-N-(oxan-4-yl)acetamide
PubChem CID63099178
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[2-aminoethyl(propyl)amino]-N-(oxan-4-yl)acetamide
SMILESCCCN(CCN)CC(=O)NC1CCOCC1
InChIInChI=1S/C12H25N3O2/c1-2-6-15(7-5-13)10-12(16)14-11-3-8-17-9-4-11/h11H,2-10,13H2,1H3,(H,14,16)
InChIKeyMTHYUNZGQQUTJS-UHFFFAOYSA-N
XLogP-0.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(oxan-4-yl)acetamide
CID 107494585
2-[2-aminoethyl(ethyl)amino]-N-cyclopropylacetamide
CID 61349324
2-[2-aminoethyl(2-phenylethyl)amino]-N-(oxan-4-yl)acetamide
CID 120872328
2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(oxan-4-yl)acetamide
CID 63097786
3-amino-N-(oxan-4-yl)propanamide
CID 43610037
2-[(3-amino-2-methyl-3-sulfanylidenepropyl)-ethylamino]-N-(oxan-4-yl)acetamide
CID 63099380
ethyl 2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetate
CID 78925035
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-N-cycloheptylacetamide
CID 79665477
3-[2-aminoethyl(ethyl)amino]-N-cyclopropylpropanamide
CID 62626817
3-[3-aminopropyl(propyl)amino]-N-cyclopropylpropanamide
CID 62628089
2-[oxan-4-ylcarbamoyl(propyl)amino]acetic acid
CID 55032022
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(oxan-4-yl)acetamide
CID 113237467

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(propyl)amino]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[2-aminoethyl(propyl)amino]-N-(oxan-4-yl)acetamide (CID 63099178) is 2-[2-aminoethyl(propyl)amino]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[2-aminoethyl(propyl)amino]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[2-aminoethyl(propyl)amino]-N-(oxan-4-yl)acetamide is CCCN(CCN)CC(=O)NC1CCOCC1.
What is the InChIKey of 2-[2-aminoethyl(propyl)amino]-N-(oxan-4-yl)acetamide?
The InChIKey is MTHYUNZGQQUTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-2-6-15(7-5-13)10-12(16)14-11-3-8-17-9-4-11/h11H,2-10,13H2,1H3,(H,14,16).
What are the key properties of 2-[2-aminoethyl(propyl)amino]-N-(oxan-4-yl)acetamide?
2-[2-aminoethyl(propyl)amino]-N-(oxan-4-yl)acetamide has a molecular weight of 243.35 g/mol, XLogP of -0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(propyl)amino]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63099178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).