2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-ethylacetamide

C12H27N3O — CID 62009398

IUPAC2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)C(CC)(CC)CN
InChIInChI=1S/C12H27N3O/c1-5-12(6-2,10-13)15(8-4)9-11(16)14-7-3/h5-10,13H2,1-4H3,(H,14,16)
InChIKeyGRWMNFBZWMUOKK-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.96
Rot. Bonds8

About 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-ethylacetamide

2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-ethylacetamide (PubChem CID 62009398) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-ethylacetamide
PubChem CID62009398
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)C(CC)(CC)CN
InChIInChI=1S/C12H27N3O/c1-5-12(6-2,10-13)15(8-4)9-11(16)14-7-3/h5-10,13H2,1-4H3,(H,14,16)
InChIKeyGRWMNFBZWMUOKK-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62008996
2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-methyl-N-propan-2-ylacetamide
CID 62010606
2-[(1-amino-2-methylbutan-2-yl)-ethylamino]-N-(2-methoxyethyl)acetamide
CID 62008377
N-ethyl-2-[ethyl(methyl)amino]acetamide;hydrochloride
CID 130736747
2-carbamothioyl-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methylbutanamide
CID 113270572
2-[3-(aminomethyl)pentan-3-yl-propylamino]-N-cyclohexylacetamide
CID 62010007
3-amino-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 60937942
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 60707866
2-[tert-butylcarbamoyl(ethyl)amino]-N-ethylacetamide
CID 115571895
2-[(3,3-dimethyl-2-oxobutyl)-ethylamino]-N-ethylacetamide
CID 62029161
N-ethyl-2-[ethyl-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)amino]acetamide
CID 55213084
N-ethyl-2-(ethylamino)-N-[2-(ethylamino)-2-oxoethyl]-2-methylpropanamide
CID 62835866

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-ethylacetamide (CID 62009398) is 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)C(CC)(CC)CN.
What is the InChIKey of 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-ethylacetamide?
The InChIKey is GRWMNFBZWMUOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-5-12(6-2,10-13)15(8-4)9-11(16)14-7-3/h5-10,13H2,1-4H3,(H,14,16).
What are the key properties of 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-ethylacetamide?
2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-ethylacetamide has a molecular weight of 229.37 g/mol, XLogP of 0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 62009398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).