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

C10H20N2O — CID 60946871

IUPAC3-amino-N-propan-2-yl-N-prop-2-enylbutanamide
SMILESC=CCN(C(=O)CC(C)N)C(C)C
InChIInChI=1S/C10H20N2O/c1-5-6-12(8(2)3)10(13)7-9(4)11/h5,8-9H,1,6-7,11H2,2-4H3
InChIKeyWNVDAHMSYSLDJB-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.15
Rot. Bonds5

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

3-amino-N-propan-2-yl-N-prop-2-enylbutanamide (PubChem CID 60946871) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-amino-N-propan-2-yl-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name3-amino-N-propan-2-yl-N-prop-2-enylbutanamide
PubChem CID60946871
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-amino-N-propan-2-yl-N-prop-2-enylbutanamide
SMILESC=CCN(C(=O)CC(C)N)C(C)C
InChIInChI=1S/C10H20N2O/c1-5-6-12(8(2)3)10(13)7-9(4)11/h5,8-9H,1,6-7,11H2,2-4H3
InChIKeyWNVDAHMSYSLDJB-UHFFFAOYSA-N
XLogP1.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.15
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-enylbutanamide?
The IUPAC name of 3-amino-N-propan-2-yl-N-prop-2-enylbutanamide (CID 60946871) is 3-amino-N-propan-2-yl-N-prop-2-enylbutanamide.
What is the SMILES notation for 3-amino-N-propan-2-yl-N-prop-2-enylbutanamide?
The canonical SMILES for 3-amino-N-propan-2-yl-N-prop-2-enylbutanamide is C=CCN(C(=O)CC(C)N)C(C)C.
What is the InChIKey of 3-amino-N-propan-2-yl-N-prop-2-enylbutanamide?
The InChIKey is WNVDAHMSYSLDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-6-12(8(2)3)10(13)7-9(4)11/h5,8-9H,1,6-7,11H2,2-4H3.
What are the key properties of 3-amino-N-propan-2-yl-N-prop-2-enylbutanamide?
3-amino-N-propan-2-yl-N-prop-2-enylbutanamide has a molecular weight of 184.28 g/mol, XLogP of 1.15, 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-enylbutanamide is sourced from PubChem (CID 60946871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).