N-[2-(dimethylamino)ethyl]-3-methyliminopropanamide

C8H17N3O — CID 142859333

IUPACN-[2-(dimethylamino)ethyl]-3-methyliminopropanamide
SMILESC/N=C/CC(=O)NCCN(C)C
InChIInChI=1S/C8H17N3O/c1-9-5-4-8(12)10-6-7-11(2)3/h5H,4,6-7H2,1-3H3,(H,10,12)/b9-5+
InChIKeyTWEJHZDMPPHYMO-WEVVVXLNSA-N
MW171.24 g/mol
LogP-0.25
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-3-methyliminopropanamide

N-[2-(dimethylamino)ethyl]-3-methyliminopropanamide (PubChem CID 142859333) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-methyliminopropanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-methyliminopropanamide
PubChem CID142859333
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN-[2-(dimethylamino)ethyl]-3-methyliminopropanamide
SMILESC/N=C/CC(=O)NCCN(C)C
InChIInChI=1S/C8H17N3O/c1-9-5-4-8(12)10-6-7-11(2)3/h5H,4,6-7H2,1-3H3,(H,10,12)/b9-5+
InChIKeyTWEJHZDMPPHYMO-WEVVVXLNSA-N
XLogP-0.25
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-methyliminopropanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-methyliminopropanamide (CID 142859333) is N-[2-(dimethylamino)ethyl]-3-methyliminopropanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-methyliminopropanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-methyliminopropanamide is C/N=C/CC(=O)NCCN(C)C.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-methyliminopropanamide?
The InChIKey is TWEJHZDMPPHYMO-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H17N3O/c1-9-5-4-8(12)10-6-7-11(2)3/h5H,4,6-7H2,1-3H3,(H,10,12)/b9-5+.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-methyliminopropanamide?
N-[2-(dimethylamino)ethyl]-3-methyliminopropanamide has a molecular weight of 171.24 g/mol, XLogP of -0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-methyliminopropanamide is sourced from PubChem (CID 142859333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).