2-(ethylamino)-4-[methyl(pentan-3-yl)amino]butanamide

C12H27N3O — CID 63030006

IUPAC2-(ethylamino)-4-[methyl(pentan-3-yl)amino]butanamide
SMILESCCNC(CCN(C)C(CC)CC)C(N)=O
InChIInChI=1S/C12H27N3O/c1-5-10(6-2)15(4)9-8-11(12(13)16)14-7-3/h10-11,14H,5-9H2,1-4H3,(H2,13,16)
InChIKeyBFLIQPRHEPYMFL-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.96
Rot. Bonds9

About 2-(ethylamino)-4-[methyl(pentan-3-yl)amino]butanamide

2-(ethylamino)-4-[methyl(pentan-3-yl)amino]butanamide (PubChem CID 63030006) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-(ethylamino)-4-[methyl(pentan-3-yl)amino]butanamide.

Molecular Properties

Compound Name2-(ethylamino)-4-[methyl(pentan-3-yl)amino]butanamide
PubChem CID63030006
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name2-(ethylamino)-4-[methyl(pentan-3-yl)amino]butanamide
SMILESCCNC(CCN(C)C(CC)CC)C(N)=O
InChIInChI=1S/C12H27N3O/c1-5-10(6-2)15(4)9-8-11(12(13)16)14-7-3/h10-11,14H,5-9H2,1-4H3,(H2,13,16)
InChIKeyBFLIQPRHEPYMFL-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

2-(ethylamino)-4-[ethyl(methyl)amino]butanamide
CID 63029588
2-(ethylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide
CID 63055682
4-[butyl(methyl)amino]-2-(ethylamino)butanamide
CID 63029682
4-[butan-2-yl(ethyl)amino]-2-(ethylamino)butanamide
CID 63027471
4-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)butanamide
CID 63055540
4-[cyclopropyl(methyl)amino]-2-(ethylamino)butanamide
CID 63027258
ethyl 2-(methylamino)-4-[methyl(pentan-3-yl)amino]butanoate
CID 63029828
4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanamide
CID 63028816
2-(ethylamino)-4-[ethyl(2-methylbutyl)amino]butanamide
CID 79481579
4-[methyl(pentan-2-yl)amino]-2-(propylamino)butanamide
CID 63054736
2-(ethylamino)-4-[2-methylpropyl(propan-2-yl)amino]butanamide
CID 55143166
2-(ethylamino)-4-[methyl-(4-methylcyclohexyl)amino]butanamide
CID 63054490

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-[methyl(pentan-3-yl)amino]butanamide?
The IUPAC name of 2-(ethylamino)-4-[methyl(pentan-3-yl)amino]butanamide (CID 63030006) is 2-(ethylamino)-4-[methyl(pentan-3-yl)amino]butanamide.
What is the SMILES notation for 2-(ethylamino)-4-[methyl(pentan-3-yl)amino]butanamide?
The canonical SMILES for 2-(ethylamino)-4-[methyl(pentan-3-yl)amino]butanamide is CCNC(CCN(C)C(CC)CC)C(N)=O.
What is the InChIKey of 2-(ethylamino)-4-[methyl(pentan-3-yl)amino]butanamide?
The InChIKey is BFLIQPRHEPYMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-5-10(6-2)15(4)9-8-11(12(13)16)14-7-3/h10-11,14H,5-9H2,1-4H3,(H2,13,16).
What are the key properties of 2-(ethylamino)-4-[methyl(pentan-3-yl)amino]butanamide?
2-(ethylamino)-4-[methyl(pentan-3-yl)amino]butanamide 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-(ethylamino)-4-[methyl(pentan-3-yl)amino]butanamide is sourced from PubChem (CID 63030006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).