N-(2-aminoethyl)-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propanamide

C11H21N3O — CID 82364123

IUPACN-(2-aminoethyl)-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
SMILESCC1=CCN(CCC(=O)NCCN)CC1
InChIInChI=1S/C11H21N3O/c1-10-2-7-14(8-3-10)9-4-11(15)13-6-5-12/h2H,3-9,12H2,1H3,(H,13,15)
InChIKeyZGMCFIWORMQSEG-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.10
Rot. Bonds5

About N-(2-aminoethyl)-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propanamide

N-(2-aminoethyl)-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propanamide (PubChem CID 82364123) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
PubChem CID82364123
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-(2-aminoethyl)-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propanamide
SMILESCC1=CCN(CCC(=O)NCCN)CC1
InChIInChI=1S/C11H21N3O/c1-10-2-7-14(8-3-10)9-4-11(15)13-6-5-12/h2H,3-9,12H2,1H3,(H,13,15)
InChIKeyZGMCFIWORMQSEG-UHFFFAOYSA-N
XLogP0.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propanamide (CID 82364123) is N-(2-aminoethyl)-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propanamide is CC1=CCN(CCC(=O)NCCN)CC1.
What is the InChIKey of N-(2-aminoethyl)-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
The InChIKey is ZGMCFIWORMQSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-10-2-7-14(8-3-10)9-4-11(15)13-6-5-12/h2H,3-9,12H2,1H3,(H,13,15).
What are the key properties of N-(2-aminoethyl)-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propanamide?
N-(2-aminoethyl)-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propanamide has a molecular weight of 211.31 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propanamide is sourced from PubChem (CID 82364123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).