N-[3-[di(propan-2-yl)amino]propyl]prop-2-enamide

C12H24N2O — CID 87733946

IUPACN-[3-[di(propan-2-yl)amino]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCN(C(C)C)C(C)C
InChIInChI=1S/C12H24N2O/c1-6-12(15)13-8-7-9-14(10(2)3)11(4)5/h6,10-11H,1,7-9H2,2-5H3,(H,13,15)
InChIKeyRYJYKQQZYQXADM-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.80
Rot. Bonds7

About N-[3-[di(propan-2-yl)amino]propyl]prop-2-enamide

N-[3-[di(propan-2-yl)amino]propyl]prop-2-enamide (PubChem CID 87733946) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[3-[di(propan-2-yl)amino]propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[di(propan-2-yl)amino]propyl]prop-2-enamide
PubChem CID87733946
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[3-[di(propan-2-yl)amino]propyl]prop-2-enamide
SMILESC=CC(=O)NCCCN(C(C)C)C(C)C
InChIInChI=1S/C12H24N2O/c1-6-12(15)13-8-7-9-14(10(2)3)11(4)5/h6,10-11H,1,7-9H2,2-5H3,(H,13,15)
InChIKeyRYJYKQQZYQXADM-UHFFFAOYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[di(propan-2-yl)amino]propyl]prop-2-enamide?
The IUPAC name of N-[3-[di(propan-2-yl)amino]propyl]prop-2-enamide (CID 87733946) is N-[3-[di(propan-2-yl)amino]propyl]prop-2-enamide.
What is the SMILES notation for N-[3-[di(propan-2-yl)amino]propyl]prop-2-enamide?
The canonical SMILES for N-[3-[di(propan-2-yl)amino]propyl]prop-2-enamide is C=CC(=O)NCCCN(C(C)C)C(C)C.
What is the InChIKey of N-[3-[di(propan-2-yl)amino]propyl]prop-2-enamide?
The InChIKey is RYJYKQQZYQXADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-6-12(15)13-8-7-9-14(10(2)3)11(4)5/h6,10-11H,1,7-9H2,2-5H3,(H,13,15).
What are the key properties of N-[3-[di(propan-2-yl)amino]propyl]prop-2-enamide?
N-[3-[di(propan-2-yl)amino]propyl]prop-2-enamide has a molecular weight of 212.34 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[di(propan-2-yl)amino]propyl]prop-2-enamide is sourced from PubChem (CID 87733946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).