4-[(3-amino-2-methylpropyl)-ethylamino]-N-methylbutanamide

C11H25N3O — CID 63893078

IUPAC4-[(3-amino-2-methylpropyl)-ethylamino]-N-methylbutanamide
SMILESCCN(CCCC(=O)NC)CC(C)CN
InChIInChI=1S/C11H25N3O/c1-4-14(9-10(2)8-12)7-5-6-11(15)13-3/h10H,4-9,12H2,1-3H3,(H,13,15)
InChIKeyQITBCKUWOXHGCY-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.43
Rot. Bonds8

About 4-[(3-amino-2-methylpropyl)-ethylamino]-N-methylbutanamide

4-[(3-amino-2-methylpropyl)-ethylamino]-N-methylbutanamide (PubChem CID 63893078) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-[(3-amino-2-methylpropyl)-ethylamino]-N-methylbutanamide.

Molecular Properties

Compound Name4-[(3-amino-2-methylpropyl)-ethylamino]-N-methylbutanamide
PubChem CID63893078
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name4-[(3-amino-2-methylpropyl)-ethylamino]-N-methylbutanamide
SMILESCCN(CCCC(=O)NC)CC(C)CN
InChIInChI=1S/C11H25N3O/c1-4-14(9-10(2)8-12)7-5-6-11(15)13-3/h10H,4-9,12H2,1-3H3,(H,13,15)
InChIKeyQITBCKUWOXHGCY-UHFFFAOYSA-N
XLogP0.43
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-methylpropyl)-ethylamino]-N-methylbutanamide?
The IUPAC name of 4-[(3-amino-2-methylpropyl)-ethylamino]-N-methylbutanamide (CID 63893078) is 4-[(3-amino-2-methylpropyl)-ethylamino]-N-methylbutanamide.
What is the SMILES notation for 4-[(3-amino-2-methylpropyl)-ethylamino]-N-methylbutanamide?
The canonical SMILES for 4-[(3-amino-2-methylpropyl)-ethylamino]-N-methylbutanamide is CCN(CCCC(=O)NC)CC(C)CN.
What is the InChIKey of 4-[(3-amino-2-methylpropyl)-ethylamino]-N-methylbutanamide?
The InChIKey is QITBCKUWOXHGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-4-14(9-10(2)8-12)7-5-6-11(15)13-3/h10H,4-9,12H2,1-3H3,(H,13,15).
What are the key properties of 4-[(3-amino-2-methylpropyl)-ethylamino]-N-methylbutanamide?
4-[(3-amino-2-methylpropyl)-ethylamino]-N-methylbutanamide has a molecular weight of 215.34 g/mol, XLogP of 0.43, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-methylpropyl)-ethylamino]-N-methylbutanamide is sourced from PubChem (CID 63893078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).