2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide

C11H25N3O — CID 63761733

IUPAC2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide
SMILESCCC(CC)N(CCN)C(C)C(=O)NC
InChIInChI=1S/C11H25N3O/c1-5-10(6-2)14(8-7-12)9(3)11(15)13-4/h9-10H,5-8,12H2,1-4H3,(H,13,15)
InChIKeyZKEGTJSTOZCLDX-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.57
Rot. Bonds7

About 2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide

2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide (PubChem CID 63761733) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide
PubChem CID63761733
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide
SMILESCCC(CC)N(CCN)C(C)C(=O)NC
InChIInChI=1S/C11H25N3O/c1-5-10(6-2)14(8-7-12)9(3)11(15)13-4/h9-10H,5-8,12H2,1-4H3,(H,13,15)
InChIKeyZKEGTJSTOZCLDX-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-aminoethyl(pentan-3-yl)amino]-N-(3-methylbutyl)propanamide
CID 63762461
N-butyl-2-[2-hydroxyethyl(pentan-3-yl)amino]propanamide
CID 62015666
3-[2-aminoethyl(methyl)amino]-N,2-dimethylpropanamide;dihydrochloride
CID 86811726
2-[2-aminoethyl(propan-2-yl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 61350303
(2R)-N-methyl-2-[methyl-[2-[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide
CID 101497284
2-[2-aminoethyl(propan-2-yl)amino]-N-cyclopropylpropanamide
CID 61350106
3-[ethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]butanoic acid
CID 62826739
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-pentan-3-ylpropanamide
CID 107494530
2-[2-aminoethyl(2,2-difluoroethyl)amino]-N-(methylcarbamoyl)propanamide
CID 107494561
1-(2-aminoethyl)-1-pentan-3-yl-3-propan-2-ylurea
CID 63766748
3-[2-hydroxyethyl(pentan-3-yl)amino]butan-2-one
CID 62035780
2-[2-aminopropyl(methyl)amino]-N-methylpropanamide
CID 63760672

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide?
The IUPAC name of 2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide (CID 63761733) is 2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide is CCC(CC)N(CCN)C(C)C(=O)NC.
What is the InChIKey of 2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide?
The InChIKey is ZKEGTJSTOZCLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-5-10(6-2)14(8-7-12)9(3)11(15)13-4/h9-10H,5-8,12H2,1-4H3,(H,13,15).
What are the key properties of 2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide?
2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide has a molecular weight of 215.34 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(pentan-3-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 63761733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).