3-amino-N-propan-2-yl-N-prop-2-enylpropanamide

C9H18N2O — CID 60946765

IUPAC3-amino-N-propan-2-yl-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)CCN)C(C)C
InChIInChI=1S/C9H18N2O/c1-4-7-11(8(2)3)9(12)5-6-10/h4,8H,1,5-7,10H2,2-3H3
InChIKeyHSODSZLWSSPPTG-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.76
Rot. Bonds5

About 3-amino-N-propan-2-yl-N-prop-2-enylpropanamide

3-amino-N-propan-2-yl-N-prop-2-enylpropanamide (PubChem CID 60946765) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-amino-N-propan-2-yl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name3-amino-N-propan-2-yl-N-prop-2-enylpropanamide
PubChem CID60946765
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-amino-N-propan-2-yl-N-prop-2-enylpropanamide
SMILESC=CCN(C(=O)CCN)C(C)C
InChIInChI=1S/C9H18N2O/c1-4-7-11(8(2)3)9(12)5-6-10/h4,8H,1,5-7,10H2,2-3H3
InChIKeyHSODSZLWSSPPTG-UHFFFAOYSA-N
XLogP0.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-propan-2-yl-N-prop-2-enylpropanamide?
The IUPAC name of 3-amino-N-propan-2-yl-N-prop-2-enylpropanamide (CID 60946765) is 3-amino-N-propan-2-yl-N-prop-2-enylpropanamide.
What is the SMILES notation for 3-amino-N-propan-2-yl-N-prop-2-enylpropanamide?
The canonical SMILES for 3-amino-N-propan-2-yl-N-prop-2-enylpropanamide is C=CCN(C(=O)CCN)C(C)C.
What is the InChIKey of 3-amino-N-propan-2-yl-N-prop-2-enylpropanamide?
The InChIKey is HSODSZLWSSPPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-7-11(8(2)3)9(12)5-6-10/h4,8H,1,5-7,10H2,2-3H3.
What are the key properties of 3-amino-N-propan-2-yl-N-prop-2-enylpropanamide?
3-amino-N-propan-2-yl-N-prop-2-enylpropanamide has a molecular weight of 170.26 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-propan-2-yl-N-prop-2-enylpropanamide is sourced from PubChem (CID 60946765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).