(Z)-3-(2-hydroxypropylamino)-N,N-dimethylbut-2-enamide

C9H18N2O2 — CID 168654922

IUPAC(Z)-3-(2-hydroxypropylamino)-N,N-dimethylbut-2-enamide
SMILESC/C(=C/C(=O)N(C)C)NCC(C)O
InChIInChI=1S/C9H18N2O2/c1-7(10-6-8(2)12)5-9(13)11(3)4/h5,8,10,12H,6H2,1-4H3/b7-5-
InChIKeyDNELFNODZSYCPU-ALCCZGGFSA-N
MW186.25 g/mol
LogP-0.05
Rot. Bonds4

About (Z)-3-(2-hydroxypropylamino)-N,N-dimethylbut-2-enamide

(Z)-3-(2-hydroxypropylamino)-N,N-dimethylbut-2-enamide (PubChem CID 168654922) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (Z)-3-(2-hydroxypropylamino)-N,N-dimethylbut-2-enamide.

Molecular Properties

Compound Name(Z)-3-(2-hydroxypropylamino)-N,N-dimethylbut-2-enamide
PubChem CID168654922
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(Z)-3-(2-hydroxypropylamino)-N,N-dimethylbut-2-enamide
SMILESC/C(=C/C(=O)N(C)C)NCC(C)O
InChIInChI=1S/C9H18N2O2/c1-7(10-6-8(2)12)5-9(13)11(3)4/h5,8,10,12H,6H2,1-4H3/b7-5-
InChIKeyDNELFNODZSYCPU-ALCCZGGFSA-N
XLogP-0.05
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.05
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 (Z)-3-(2-hydroxypropylamino)-N,N-dimethylbut-2-enamide?
The IUPAC name of (Z)-3-(2-hydroxypropylamino)-N,N-dimethylbut-2-enamide (CID 168654922) is (Z)-3-(2-hydroxypropylamino)-N,N-dimethylbut-2-enamide.
What is the SMILES notation for (Z)-3-(2-hydroxypropylamino)-N,N-dimethylbut-2-enamide?
The canonical SMILES for (Z)-3-(2-hydroxypropylamino)-N,N-dimethylbut-2-enamide is C/C(=C/C(=O)N(C)C)NCC(C)O.
What is the InChIKey of (Z)-3-(2-hydroxypropylamino)-N,N-dimethylbut-2-enamide?
The InChIKey is DNELFNODZSYCPU-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(10-6-8(2)12)5-9(13)11(3)4/h5,8,10,12H,6H2,1-4H3/b7-5-.
What are the key properties of (Z)-3-(2-hydroxypropylamino)-N,N-dimethylbut-2-enamide?
(Z)-3-(2-hydroxypropylamino)-N,N-dimethylbut-2-enamide has a molecular weight of 186.25 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2-hydroxypropylamino)-N,N-dimethylbut-2-enamide is sourced from PubChem (CID 168654922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).