4-amino-3-[cyclopropylmethyl(ethyl)amino]-N-methylbutanamide

C11H23N3O — CID 66427576

IUPAC4-amino-3-[cyclopropylmethyl(ethyl)amino]-N-methylbutanamide
SMILESCCN(CC1CC1)C(CN)CC(=O)NC
InChIInChI=1S/C11H23N3O/c1-3-14(8-9-4-5-9)10(7-12)6-11(15)13-2/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyXATFGDOAFLFZJJ-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.18
Rot. Bonds7

About 4-amino-3-[cyclopropylmethyl(ethyl)amino]-N-methylbutanamide

4-amino-3-[cyclopropylmethyl(ethyl)amino]-N-methylbutanamide (PubChem CID 66427576) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 4-amino-3-[cyclopropylmethyl(ethyl)amino]-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-3-[cyclopropylmethyl(ethyl)amino]-N-methylbutanamide
PubChem CID66427576
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name4-amino-3-[cyclopropylmethyl(ethyl)amino]-N-methylbutanamide
SMILESCCN(CC1CC1)C(CN)CC(=O)NC
InChIInChI=1S/C11H23N3O/c1-3-14(8-9-4-5-9)10(7-12)6-11(15)13-2/h9-10H,3-8,12H2,1-2H3,(H,13,15)
InChIKeyXATFGDOAFLFZJJ-UHFFFAOYSA-N
XLogP0.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[cyclopropylmethyl(ethyl)amino]-N-methylbutanamide?
The IUPAC name of 4-amino-3-[cyclopropylmethyl(ethyl)amino]-N-methylbutanamide (CID 66427576) is 4-amino-3-[cyclopropylmethyl(ethyl)amino]-N-methylbutanamide.
What is the SMILES notation for 4-amino-3-[cyclopropylmethyl(ethyl)amino]-N-methylbutanamide?
The canonical SMILES for 4-amino-3-[cyclopropylmethyl(ethyl)amino]-N-methylbutanamide is CCN(CC1CC1)C(CN)CC(=O)NC.
What is the InChIKey of 4-amino-3-[cyclopropylmethyl(ethyl)amino]-N-methylbutanamide?
The InChIKey is XATFGDOAFLFZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-14(8-9-4-5-9)10(7-12)6-11(15)13-2/h9-10H,3-8,12H2,1-2H3,(H,13,15).
What are the key properties of 4-amino-3-[cyclopropylmethyl(ethyl)amino]-N-methylbutanamide?
4-amino-3-[cyclopropylmethyl(ethyl)amino]-N-methylbutanamide has a molecular weight of 213.32 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[cyclopropylmethyl(ethyl)amino]-N-methylbutanamide is sourced from PubChem (CID 66427576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).