N,N-bis(2-aminoethyl)-2-(2H-pyran-5-yl)propanamide

C12H21N3O2 — CID 54133660

IUPACN,N-bis(2-aminoethyl)-2-(2H-pyran-5-yl)propanamide
SMILESCC(C(=O)N(CCN)CCN)C1=COCC=C1
InChIInChI=1S/C12H21N3O2/c1-10(11-3-2-8-17-9-11)12(16)15(6-4-13)7-5-14/h2-3,9-10H,4-8,13-14H2,1H3
InChIKeyNWCZEHAUDMKHPQ-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.16
Rot. Bonds6

About N,N-bis(2-aminoethyl)-2-(2H-pyran-5-yl)propanamide

N,N-bis(2-aminoethyl)-2-(2H-pyran-5-yl)propanamide (PubChem CID 54133660) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N,N-bis(2-aminoethyl)-2-(2H-pyran-5-yl)propanamide.

Molecular Properties

Compound NameN,N-bis(2-aminoethyl)-2-(2H-pyran-5-yl)propanamide
PubChem CID54133660
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN,N-bis(2-aminoethyl)-2-(2H-pyran-5-yl)propanamide
SMILESCC(C(=O)N(CCN)CCN)C1=COCC=C1
InChIInChI=1S/C12H21N3O2/c1-10(11-3-2-8-17-9-11)12(16)15(6-4-13)7-5-14/h2-3,9-10H,4-8,13-14H2,1H3
InChIKeyNWCZEHAUDMKHPQ-UHFFFAOYSA-N
XLogP-0.16
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N,N-bis(2-aminoethyl)-2-(2H-pyran-5-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2H-pyran-5-yl)ethanamine
CID 143109960
N-(2-aminoethyl)-2-(3-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120885187
N-(2-aminoethyl)-2-ethyl-N-propylbutanamide
CID 61349350
N-(2-aminoethyl)-2-methyl-N-(2-phenylethyl)butanamide;hydrochloride
CID 120885669
2-methylpropyl N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)carbamate
CID 107493763
N-(2-aminoethyl)-N-(2-phenylethyl)-2-phenylmethoxypropanamide;hydrochloride
CID 120886275
N-(3-aminopropyl)-3-methyl-2-propan-2-yl-N-propylbutanamide
CID 114282132
N-(2-aminoethyl)-3-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107493496
N-(3-aminopropyl)-2-methyl-N-propylpropanamide
CID 43136612
N-[1-[2-aminoethyl(2-phenylethyl)amino]-1-oxopropan-2-yl]-2,2-dimethylpropanamide;hydrochloride
CID 120885093
N-(2-aminoethyl)-N-(4-chlorophenyl)-2-methylpropanamide
CID 28769527
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-2-methoxypropanamide
CID 107493240

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-aminoethyl)-2-(2H-pyran-5-yl)propanamide?
The IUPAC name of N,N-bis(2-aminoethyl)-2-(2H-pyran-5-yl)propanamide (CID 54133660) is N,N-bis(2-aminoethyl)-2-(2H-pyran-5-yl)propanamide.
What is the SMILES notation for N,N-bis(2-aminoethyl)-2-(2H-pyran-5-yl)propanamide?
The canonical SMILES for N,N-bis(2-aminoethyl)-2-(2H-pyran-5-yl)propanamide is CC(C(=O)N(CCN)CCN)C1=COCC=C1.
What is the InChIKey of N,N-bis(2-aminoethyl)-2-(2H-pyran-5-yl)propanamide?
The InChIKey is NWCZEHAUDMKHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10(11-3-2-8-17-9-11)12(16)15(6-4-13)7-5-14/h2-3,9-10H,4-8,13-14H2,1H3.
What are the key properties of N,N-bis(2-aminoethyl)-2-(2H-pyran-5-yl)propanamide?
N,N-bis(2-aminoethyl)-2-(2H-pyran-5-yl)propanamide has a molecular weight of 239.32 g/mol, XLogP of -0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-aminoethyl)-2-(2H-pyran-5-yl)propanamide is sourced from PubChem (CID 54133660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).