2,2-dimethyl-N-[(E)-1-(methylamino)prop-1-en-2-yl]propanamide

C9H18N2O — CID 126657625

IUPAC2,2-dimethyl-N-[(E)-1-(methylamino)prop-1-en-2-yl]propanamide
SMILESCN/C=C(\C)NC(=O)C(C)(C)C
InChIInChI=1S/C9H18N2O/c1-7(6-10-5)11-8(12)9(2,3)4/h6,10H,1-5H3,(H,11,12)/b7-6+
InChIKeyQDBMLJBMQHQZSC-VOTSOKGWSA-N
MW170.26 g/mol
LogP1.23
Rot. Bonds2

About 2,2-dimethyl-N-[(E)-1-(methylamino)prop-1-en-2-yl]propanamide

2,2-dimethyl-N-[(E)-1-(methylamino)prop-1-en-2-yl]propanamide (PubChem CID 126657625) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(E)-1-(methylamino)prop-1-en-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(E)-1-(methylamino)prop-1-en-2-yl]propanamide
PubChem CID126657625
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2,2-dimethyl-N-[(E)-1-(methylamino)prop-1-en-2-yl]propanamide
SMILESCN/C=C(\C)NC(=O)C(C)(C)C
InChIInChI=1S/C9H18N2O/c1-7(6-10-5)11-8(12)9(2,3)4/h6,10H,1-5H3,(H,11,12)/b7-6+
InChIKeyQDBMLJBMQHQZSC-VOTSOKGWSA-N
XLogP1.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(E)-1-(methylamino)prop-1-en-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(E)-1-(methylamino)prop-1-en-2-yl]propanamide (CID 126657625) is 2,2-dimethyl-N-[(E)-1-(methylamino)prop-1-en-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(E)-1-(methylamino)prop-1-en-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(E)-1-(methylamino)prop-1-en-2-yl]propanamide is CN/C=C(\C)NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(E)-1-(methylamino)prop-1-en-2-yl]propanamide?
The InChIKey is QDBMLJBMQHQZSC-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(6-10-5)11-8(12)9(2,3)4/h6,10H,1-5H3,(H,11,12)/b7-6+.
What are the key properties of 2,2-dimethyl-N-[(E)-1-(methylamino)prop-1-en-2-yl]propanamide?
2,2-dimethyl-N-[(E)-1-(methylamino)prop-1-en-2-yl]propanamide has a molecular weight of 170.26 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(E)-1-(methylamino)prop-1-en-2-yl]propanamide is sourced from PubChem (CID 126657625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).