N-[2-(tert-butylamino)ethyl]prop-2-enamide

C9H18N2O — CID 18325619

IUPACN-[2-(tert-butylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCNC(C)(C)C
InChIInChI=1S/C9H18N2O/c1-5-8(12)10-6-7-11-9(2,3)4/h5,11H,1,6-7H2,2-4H3,(H,10,12)
InChIKeyVJBPNBIDOXUKMI-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.68
Rot. Bonds4

About N-[2-(tert-butylamino)ethyl]prop-2-enamide

N-[2-(tert-butylamino)ethyl]prop-2-enamide (PubChem CID 18325619) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[2-(tert-butylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)ethyl]prop-2-enamide
PubChem CID18325619
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[2-(tert-butylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)NCCNC(C)(C)C
InChIInChI=1S/C9H18N2O/c1-5-8(12)10-6-7-11-9(2,3)4/h5,11H,1,6-7H2,2-4H3,(H,10,12)
InChIKeyVJBPNBIDOXUKMI-UHFFFAOYSA-N
XLogP0.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.68
H-Bond Donors ≤ 52
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-[2-(tert-butylamino)ethyl]prop-2-enamide?
The IUPAC name of N-[2-(tert-butylamino)ethyl]prop-2-enamide (CID 18325619) is N-[2-(tert-butylamino)ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-(tert-butylamino)ethyl]prop-2-enamide?
The canonical SMILES for N-[2-(tert-butylamino)ethyl]prop-2-enamide is C=CC(=O)NCCNC(C)(C)C.
What is the InChIKey of N-[2-(tert-butylamino)ethyl]prop-2-enamide?
The InChIKey is VJBPNBIDOXUKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-5-8(12)10-6-7-11-9(2,3)4/h5,11H,1,6-7H2,2-4H3,(H,10,12).
What are the key properties of N-[2-(tert-butylamino)ethyl]prop-2-enamide?
N-[2-(tert-butylamino)ethyl]prop-2-enamide has a molecular weight of 170.26 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 18325619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).