N-(3-aminopropyl)-N-cyclopropyl-2-methylbutanamide

C11H22N2O — CID 43136751

IUPACN-(3-aminopropyl)-N-cyclopropyl-2-methylbutanamide
SMILESCCC(C)C(=O)N(CCCN)C1CC1
InChIInChI=1S/C11H22N2O/c1-3-9(2)11(14)13(8-4-7-12)10-5-6-10/h9-10H,3-8,12H2,1-2H3
InChIKeyDUMYKEBRVRNQDF-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.37
Rot. Bonds6

About N-(3-aminopropyl)-N-cyclopropyl-2-methylbutanamide

N-(3-aminopropyl)-N-cyclopropyl-2-methylbutanamide (PubChem CID 43136751) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-cyclopropyl-2-methylbutanamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-cyclopropyl-2-methylbutanamide
PubChem CID43136751
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(3-aminopropyl)-N-cyclopropyl-2-methylbutanamide
SMILESCCC(C)C(=O)N(CCCN)C1CC1
InChIInChI=1S/C11H22N2O/c1-3-9(2)11(14)13(8-4-7-12)10-5-6-10/h9-10H,3-8,12H2,1-2H3
InChIKeyDUMYKEBRVRNQDF-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-2-methylbutanamide?
The IUPAC name of N-(3-aminopropyl)-N-cyclopropyl-2-methylbutanamide (CID 43136751) is N-(3-aminopropyl)-N-cyclopropyl-2-methylbutanamide.
What is the SMILES notation for N-(3-aminopropyl)-N-cyclopropyl-2-methylbutanamide?
The canonical SMILES for N-(3-aminopropyl)-N-cyclopropyl-2-methylbutanamide is CCC(C)C(=O)N(CCCN)C1CC1.
What is the InChIKey of N-(3-aminopropyl)-N-cyclopropyl-2-methylbutanamide?
The InChIKey is DUMYKEBRVRNQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-9(2)11(14)13(8-4-7-12)10-5-6-10/h9-10H,3-8,12H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-cyclopropyl-2-methylbutanamide?
N-(3-aminopropyl)-N-cyclopropyl-2-methylbutanamide has a molecular weight of 198.31 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-cyclopropyl-2-methylbutanamide is sourced from PubChem (CID 43136751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).