N-(1-cyclopropylpropyl)-3,3-dimethyl-2-(methylamino)butanamide

C13H26N2O — CID 20651834

IUPACN-(1-cyclopropylpropyl)-3,3-dimethyl-2-(methylamino)butanamide
SMILESCCC(NC(=O)C(NC)C(C)(C)C)C1CC1
InChIInChI=1S/C13H26N2O/c1-6-10(9-7-8-9)15-12(16)11(14-5)13(2,3)4/h9-11,14H,6-8H2,1-5H3,(H,15,16)
InChIKeyBOBSPZWRVYUKIH-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.93
Rot. Bonds5

About N-(1-cyclopropylpropyl)-3,3-dimethyl-2-(methylamino)butanamide

N-(1-cyclopropylpropyl)-3,3-dimethyl-2-(methylamino)butanamide (PubChem CID 20651834) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-(1-cyclopropylpropyl)-3,3-dimethyl-2-(methylamino)butanamide.

Molecular Properties

Compound NameN-(1-cyclopropylpropyl)-3,3-dimethyl-2-(methylamino)butanamide
PubChem CID20651834
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-(1-cyclopropylpropyl)-3,3-dimethyl-2-(methylamino)butanamide
SMILESCCC(NC(=O)C(NC)C(C)(C)C)C1CC1
InChIInChI=1S/C13H26N2O/c1-6-10(9-7-8-9)15-12(16)11(14-5)13(2,3)4/h9-11,14H,6-8H2,1-5H3,(H,15,16)
InChIKeyBOBSPZWRVYUKIH-UHFFFAOYSA-N
XLogP1.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1-cyclopropylpropyl)-3,3-dimethyl-2-(methylamino)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropyl)-3,3-dimethyl-2-(methylamino)butanamide?
The IUPAC name of N-(1-cyclopropylpropyl)-3,3-dimethyl-2-(methylamino)butanamide (CID 20651834) is N-(1-cyclopropylpropyl)-3,3-dimethyl-2-(methylamino)butanamide.
What is the SMILES notation for N-(1-cyclopropylpropyl)-3,3-dimethyl-2-(methylamino)butanamide?
The canonical SMILES for N-(1-cyclopropylpropyl)-3,3-dimethyl-2-(methylamino)butanamide is CCC(NC(=O)C(NC)C(C)(C)C)C1CC1.
What is the InChIKey of N-(1-cyclopropylpropyl)-3,3-dimethyl-2-(methylamino)butanamide?
The InChIKey is BOBSPZWRVYUKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-6-10(9-7-8-9)15-12(16)11(14-5)13(2,3)4/h9-11,14H,6-8H2,1-5H3,(H,15,16).
What are the key properties of N-(1-cyclopropylpropyl)-3,3-dimethyl-2-(methylamino)butanamide?
N-(1-cyclopropylpropyl)-3,3-dimethyl-2-(methylamino)butanamide has a molecular weight of 226.36 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropyl)-3,3-dimethyl-2-(methylamino)butanamide is sourced from PubChem (CID 20651834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).