N',N'-di(propan-2-yl)ethane-1,2-diamine;prop-2-enamide

C11H25N3O — CID 174642702

IUPACN',N'-di(propan-2-yl)ethane-1,2-diamine;prop-2-enamide
SMILESC=CC(N)=O.CC(C)N(CCN)C(C)C
InChIInChI=1S/C8H20N2.C3H5NO/c1-7(2)10(6-5-9)8(3)4;1-2-3(4)5/h7-8H,5-6,9H2,1-4H3;2H,1H2,(H2,4,5)
InChIKeyHWFZQASAXMTMGS-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.72
Rot. Bonds5

About N',N'-di(propan-2-yl)ethane-1,2-diamine;prop-2-enamide

N',N'-di(propan-2-yl)ethane-1,2-diamine;prop-2-enamide (PubChem CID 174642702) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is N',N'-di(propan-2-yl)ethane-1,2-diamine;prop-2-enamide.

Molecular Properties

Compound NameN',N'-di(propan-2-yl)ethane-1,2-diamine;prop-2-enamide
PubChem CID174642702
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC NameN',N'-di(propan-2-yl)ethane-1,2-diamine;prop-2-enamide
SMILESC=CC(N)=O.CC(C)N(CCN)C(C)C
InChIInChI=1S/C8H20N2.C3H5NO/c1-7(2)10(6-5-9)8(3)4;1-2-3(4)5/h7-8H,5-6,9H2,1-4H3;2H,1H2,(H2,4,5)
InChIKeyHWFZQASAXMTMGS-UHFFFAOYSA-N
XLogP0.72
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-di(propan-2-yl)ethane-1,2-diamine;prop-2-enamide?
The IUPAC name of N',N'-di(propan-2-yl)ethane-1,2-diamine;prop-2-enamide (CID 174642702) is N',N'-di(propan-2-yl)ethane-1,2-diamine;prop-2-enamide.
What is the SMILES notation for N',N'-di(propan-2-yl)ethane-1,2-diamine;prop-2-enamide?
The canonical SMILES for N',N'-di(propan-2-yl)ethane-1,2-diamine;prop-2-enamide is C=CC(N)=O.CC(C)N(CCN)C(C)C.
What is the InChIKey of N',N'-di(propan-2-yl)ethane-1,2-diamine;prop-2-enamide?
The InChIKey is HWFZQASAXMTMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2.C3H5NO/c1-7(2)10(6-5-9)8(3)4;1-2-3(4)5/h7-8H,5-6,9H2,1-4H3;2H,1H2,(H2,4,5).
What are the key properties of N',N'-di(propan-2-yl)ethane-1,2-diamine;prop-2-enamide?
N',N'-di(propan-2-yl)ethane-1,2-diamine;prop-2-enamide has a molecular weight of 215.34 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-di(propan-2-yl)ethane-1,2-diamine;prop-2-enamide is sourced from PubChem (CID 174642702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).