2-[3-aminopropyl(ethyl)amino]-N-pentan-2-ylacetamide

C12H27N3O — CID 61490080

IUPAC2-[3-aminopropyl(ethyl)amino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(CC)CCCN
InChIInChI=1S/C12H27N3O/c1-4-7-11(3)14-12(16)10-15(5-2)9-6-8-13/h11H,4-10,13H2,1-3H3,(H,14,16)
InChIKeyGDVQWQZJGHUJIJ-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.96
Rot. Bonds9

About 2-[3-aminopropyl(ethyl)amino]-N-pentan-2-ylacetamide

2-[3-aminopropyl(ethyl)amino]-N-pentan-2-ylacetamide (PubChem CID 61490080) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-[3-aminopropyl(ethyl)amino]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[3-aminopropyl(ethyl)amino]-N-pentan-2-ylacetamide
PubChem CID61490080
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-[3-aminopropyl(ethyl)amino]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CN(CC)CCCN
InChIInChI=1S/C12H27N3O/c1-4-7-11(3)14-12(16)10-15(5-2)9-6-8-13/h11H,4-10,13H2,1-3H3,(H,14,16)
InChIKeyGDVQWQZJGHUJIJ-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
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

6-amino-N-[5-(diethylamino)pentan-2-yl]hexanamide
CID 24702267
2-[butyl(2-hydroxyethyl)amino]-N-pentan-2-ylacetamide
CID 60689454
N-[5-(diethylamino)pentan-2-yl]butanamide
CID 60707663
2-[3-aminopropyl(propyl)amino]-N-pentan-3-ylacetamide
CID 54957057
N-[5-(diethylamino)pentan-2-yl]propanamide
CID 60707685
2-[ethyl(3-hydroxypropyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 115666206
2-[(4-aminophenyl)methyl-ethylamino]-N-pentan-2-ylacetamide
CID 61489645
2-[(1-amino-2-methylpropan-2-yl)-ethylamino]-N-pentan-2-ylacetamide
CID 62007962
2-[3-aminopropyl(propan-2-yl)amino]-N-pentan-2-ylpropanamide
CID 43137419
2-[3-aminopropyl(propyl)amino]-N-pentan-2-ylpropanamide
CID 43137331
2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-pentan-2-ylacetamide
CID 62009596
2-[3-aminopropyl(ethyl)amino]-N,N-dimethylacetamide
CID 43137216

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(ethyl)amino]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[3-aminopropyl(ethyl)amino]-N-pentan-2-ylacetamide (CID 61490080) is 2-[3-aminopropyl(ethyl)amino]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[3-aminopropyl(ethyl)amino]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[3-aminopropyl(ethyl)amino]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CN(CC)CCCN.
What is the InChIKey of 2-[3-aminopropyl(ethyl)amino]-N-pentan-2-ylacetamide?
The InChIKey is GDVQWQZJGHUJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-4-7-11(3)14-12(16)10-15(5-2)9-6-8-13/h11H,4-10,13H2,1-3H3,(H,14,16).
What are the key properties of 2-[3-aminopropyl(ethyl)amino]-N-pentan-2-ylacetamide?
2-[3-aminopropyl(ethyl)amino]-N-pentan-2-ylacetamide has a molecular weight of 229.37 g/mol, XLogP of 0.96, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(ethyl)amino]-N-pentan-2-ylacetamide is sourced from PubChem (CID 61490080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).