2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide

C11H25N3O — CID 106047623

IUPAC2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
SMILESCCC(N)C(=O)NCCCN(C)C(C)C
InChIInChI=1S/C11H25N3O/c1-5-10(12)11(15)13-7-6-8-14(4)9(2)3/h9-10H,5-8,12H2,1-4H3,(H,13,15)
InChIKeyOUMFQIOXMXVERV-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.57
Rot. Bonds7

About 2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide

2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide (PubChem CID 106047623) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide.

Molecular Properties

Compound Name2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
PubChem CID106047623
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
SMILESCCC(N)C(=O)NCCCN(C)C(C)C
InChIInChI=1S/C11H25N3O/c1-5-10(12)11(15)13-7-6-8-14(4)9(2)3/h9-10H,5-8,12H2,1-4H3,(H,13,15)
InChIKeyOUMFQIOXMXVERV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047587
(2S)-2-amino-N-[3-(diethylamino)propyl]butanamide
CID 79025244
(2S)-2-amino-3,3-dimethyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 114140545
4-amino-5-[4-[methyl(propan-2-yl)amino]butylamino]-5-oxopentanoic acid
CID 64888379
(2S)-2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]-3-phenylpropanamide
CID 106047732
(2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide
CID 83110467
2-(aminomethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]pentanamide
CID 114140198
3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]-2-sulfanylbutanamide
CID 106040675
2-amino-N-[2-[ethyl(methyl)amino]ethyl]butanamide
CID 62641335
2-amino-2-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]propanamide
CID 106047758
2-carbamothioyl-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 114139141
(2R)-2-amino-N-tetradecylbutanamide
CID 158842614

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide?
The IUPAC name of 2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide (CID 106047623) is 2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide.
What is the SMILES notation for 2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide?
The canonical SMILES for 2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide is CCC(N)C(=O)NCCCN(C)C(C)C.
What is the InChIKey of 2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide?
The InChIKey is OUMFQIOXMXVERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-5-10(12)11(15)13-7-6-8-14(4)9(2)3/h9-10H,5-8,12H2,1-4H3,(H,13,15).
What are the key properties of 2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide?
2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide 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-amino-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide is sourced from PubChem (CID 106047623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).