2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4-methylpentanamide

C12H25N3O2 — CID 113410027

IUPAC2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4-methylpentanamide
SMILESCCNC(=O)CCNC(=O)C(CN)CC(C)C
InChIInChI=1S/C12H25N3O2/c1-4-14-11(16)5-6-15-12(17)10(8-13)7-9(2)3/h9-10H,4-8,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyICEWCUDBOCQLSF-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.25
Rot. Bonds8

About 2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4-methylpentanamide

2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4-methylpentanamide (PubChem CID 113410027) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4-methylpentanamide
PubChem CID113410027
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4-methylpentanamide
SMILESCCNC(=O)CCNC(=O)C(CN)CC(C)C
InChIInChI=1S/C12H25N3O2/c1-4-14-11(16)5-6-15-12(17)10(8-13)7-9(2)3/h9-10H,4-8,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyICEWCUDBOCQLSF-UHFFFAOYSA-N
XLogP0.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4,4-dimethylpentanamide
CID 107472677
2-(aminomethyl)-4-methyl-N-(3-methylsulfanylbutyl)pentanamide
CID 115739021
4-[[3-(ethylamino)-3-oxopropyl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499144
2-(aminomethyl)-N-(2-bromoprop-2-enyl)-4-methylpentanamide
CID 115738674
2-(aminomethyl)-4-methyl-N-propylhexanamide
CID 62313782
2-(aminomethyl)-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide
CID 115739679
2-(aminomethyl)-4-ethyl-N-propylhexanamide
CID 62313783
1-[[[2-(aminomethyl)-4-methylpentanoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312287
2-(aminomethyl)-N-[(4-hydroxycyclohexyl)methyl]-4-methylpentanamide
CID 106135774
2-(aminomethyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-methylpentanamide
CID 114010603
methyl 3-[2-(aminomethyl)butanoylamino]propanoate
CID 65228741
3-(1-aminopropan-2-ylsulfanyl)-N-ethylpropanamide
CID 66218369

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4-methylpentanamide?
The IUPAC name of 2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4-methylpentanamide (CID 113410027) is 2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4-methylpentanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4-methylpentanamide?
The canonical SMILES for 2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4-methylpentanamide is CCNC(=O)CCNC(=O)C(CN)CC(C)C.
What is the InChIKey of 2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4-methylpentanamide?
The InChIKey is ICEWCUDBOCQLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-4-14-11(16)5-6-15-12(17)10(8-13)7-9(2)3/h9-10H,4-8,13H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4-methylpentanamide?
2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4-methylpentanamide has a molecular weight of 243.35 g/mol, XLogP of 0.25, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[3-(ethylamino)-3-oxopropyl]-4-methylpentanamide is sourced from PubChem (CID 113410027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).