3-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide

C12H24N2O — CID 119319725

IUPAC3-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide
SMILESCCC(C)C(C)N(C(=O)CCN)C1CC1
InChIInChI=1S/C12H24N2O/c1-4-9(2)10(3)14(11-5-6-11)12(15)7-8-13/h9-11H,4-8,13H2,1-3H3
InChIKeyYIWUQHHUWCSCDB-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.76
Rot. Bonds6

About 3-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide

3-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide (PubChem CID 119319725) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide
PubChem CID119319725
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide
SMILESCCC(C)C(C)N(C(=O)CCN)C1CC1
InChIInChI=1S/C12H24N2O/c1-4-9(2)10(3)14(11-5-6-11)12(15)7-8-13/h9-11H,4-8,13H2,1-3H3
InChIKeyYIWUQHHUWCSCDB-UHFFFAOYSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide?
The IUPAC name of 3-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide (CID 119319725) is 3-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide?
The canonical SMILES for 3-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide is CCC(C)C(C)N(C(=O)CCN)C1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide?
The InChIKey is YIWUQHHUWCSCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-9(2)10(3)14(11-5-6-11)12(15)7-8-13/h9-11H,4-8,13H2,1-3H3.
What are the key properties of 3-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide?
3-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide has a molecular weight of 212.34 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-N-(3-methylpentan-2-yl)propanamide is sourced from PubChem (CID 119319725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).