N-[2-(butan-2-ylamino)ethyl]-2-methylprop-2-enamide

C10H20N2O — CID 18325541

IUPACN-[2-(butan-2-ylamino)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCNC(C)CC
InChIInChI=1S/C10H20N2O/c1-5-9(4)11-6-7-12-10(13)8(2)3/h9,11H,2,5-7H2,1,3-4H3,(H,12,13)
InChIKeyTUXBYGVSKXHSHP-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.07
Rot. Bonds6

About N-[2-(butan-2-ylamino)ethyl]-2-methylprop-2-enamide

N-[2-(butan-2-ylamino)ethyl]-2-methylprop-2-enamide (PubChem CID 18325541) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-[2-(butan-2-ylamino)ethyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[2-(butan-2-ylamino)ethyl]-2-methylprop-2-enamide
PubChem CID18325541
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-[2-(butan-2-ylamino)ethyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCNC(C)CC
InChIInChI=1S/C10H20N2O/c1-5-9(4)11-6-7-12-10(13)8(2)3/h9,11H,2,5-7H2,1,3-4H3,(H,12,13)
InChIKeyTUXBYGVSKXHSHP-UHFFFAOYSA-N
XLogP1.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.07
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-(butan-2-ylamino)ethyl]-2-methylprop-2-enamide?
The IUPAC name of N-[2-(butan-2-ylamino)ethyl]-2-methylprop-2-enamide (CID 18325541) is N-[2-(butan-2-ylamino)ethyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[2-(butan-2-ylamino)ethyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[2-(butan-2-ylamino)ethyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCNC(C)CC.
What is the InChIKey of N-[2-(butan-2-ylamino)ethyl]-2-methylprop-2-enamide?
The InChIKey is TUXBYGVSKXHSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-9(4)11-6-7-12-10(13)8(2)3/h9,11H,2,5-7H2,1,3-4H3,(H,12,13).
What are the key properties of N-[2-(butan-2-ylamino)ethyl]-2-methylprop-2-enamide?
N-[2-(butan-2-ylamino)ethyl]-2-methylprop-2-enamide has a molecular weight of 184.28 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butan-2-ylamino)ethyl]-2-methylprop-2-enamide is sourced from PubChem (CID 18325541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).