2-(butan-2-ylamino)-2-cyclopropylbutanamide

C11H22N2O — CID 64917414

IUPAC2-(butan-2-ylamino)-2-cyclopropylbutanamide
SMILESCCC(C)NC(CC)(C(N)=O)C1CC1
InChIInChI=1S/C11H22N2O/c1-4-8(3)13-11(5-2,10(12)14)9-6-7-9/h8-9,13H,4-7H2,1-3H3,(H2,12,14)
InChIKeyKWEPCTMFXYJLFL-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.42
Rot. Bonds6

About 2-(butan-2-ylamino)-2-cyclopropylbutanamide

2-(butan-2-ylamino)-2-cyclopropylbutanamide (PubChem CID 64917414) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-cyclopropylbutanamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-cyclopropylbutanamide
PubChem CID64917414
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-(butan-2-ylamino)-2-cyclopropylbutanamide
SMILESCCC(C)NC(CC)(C(N)=O)C1CC1
InChIInChI=1S/C11H22N2O/c1-4-8(3)13-11(5-2,10(12)14)9-6-7-9/h8-9,13H,4-7H2,1-3H3,(H2,12,14)
InChIKeyKWEPCTMFXYJLFL-UHFFFAOYSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-cyclopropylbutanamide?
The IUPAC name of 2-(butan-2-ylamino)-2-cyclopropylbutanamide (CID 64917414) is 2-(butan-2-ylamino)-2-cyclopropylbutanamide.
What is the SMILES notation for 2-(butan-2-ylamino)-2-cyclopropylbutanamide?
The canonical SMILES for 2-(butan-2-ylamino)-2-cyclopropylbutanamide is CCC(C)NC(CC)(C(N)=O)C1CC1.
What is the InChIKey of 2-(butan-2-ylamino)-2-cyclopropylbutanamide?
The InChIKey is KWEPCTMFXYJLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-8(3)13-11(5-2,10(12)14)9-6-7-9/h8-9,13H,4-7H2,1-3H3,(H2,12,14).
What are the key properties of 2-(butan-2-ylamino)-2-cyclopropylbutanamide?
2-(butan-2-ylamino)-2-cyclopropylbutanamide has a molecular weight of 198.31 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-2-cyclopropylbutanamide is sourced from PubChem (CID 64917414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).