2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenylpentan-1-amine

C20H39N3O — CID 142070801

IUPAC2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenylpentan-1-amine
SMILESC=C(N)CC(CCCC)C(=O)N1CCCC1.C=CNCCCCC
InChIInChI=1S/C13H24N2O.C7H15N/c1-3-4-7-12(10-11(2)14)13(16)15-8-5-6-9-15;1-3-5-6-7-8-4-2/h12H,2-10,14H2,1H3;4,8H,2-3,5-7H2,1H3
InChIKeyNLLMBHPJPHLPRI-UHFFFAOYSA-N
MW337.55 g/mol
LogP4.19
Rot. Bonds11

About 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenylpentan-1-amine

2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenylpentan-1-amine (PubChem CID 142070801) has the molecular formula C20H39N3O and a molecular weight of 337.55 g/mol. Its IUPAC name is 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenylpentan-1-amine.

Molecular Properties

Compound Name2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenylpentan-1-amine
PubChem CID142070801
Molecular FormulaC20H39N3O
Molecular Weight337.55 g/mol
Exact Mass337.31
IUPAC Name2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenylpentan-1-amine
SMILESC=C(N)CC(CCCC)C(=O)N1CCCC1.C=CNCCCCC
InChIInChI=1S/C13H24N2O.C7H15N/c1-3-4-7-12(10-11(2)14)13(16)15-8-5-6-9-15;1-3-5-6-7-8-4-2/h12H,2-10,14H2,1H3;4,8H,2-3,5-7H2,1H3
InChIKeyNLLMBHPJPHLPRI-UHFFFAOYSA-N
XLogP4.19
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.55
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one
CID 142070789
N-methyl-2-(1-methyl-2-methylidenepyrrolidin-3-yl)acetamide
CID 59931993
1-hexadecyl-N-hexyl-5-methylidenepyrrolidine-3-carboxamide
CID 90273569
1-hexyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide
CID 122534217
1-heptyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide
CID 122534287
N-butyl-1-dodecyl-5-methylidenepyrrolidine-3-carboxamide
CID 122534308
4-[1-(Butylamino)ethenyl]-1-hexylpyrrolidin-2-one
CID 122534314
1-decyl-5-methylidene-N-pentylpyrrolidine-3-carboxamide
CID 122534315
N-[7-[2-(2,4-dimethylhexan-3-yl)pyrrolidin-1-yl]-3-methyloct-7-en-4-yl]-2-(ethenylamino)-N,3-dimethylbutanamide
CID 132172402
(3R,4S,5S)-3-ethyl-5-methyl-4-[methyl(4-methylpent-1-en-2-yl)amino]-1-pyrrolidin-1-ylheptan-1-one
CID 132172407
3-(1-Aminoethenyl)-5-propylpyrrolidin-2-one
CID 139523886
2-(2-amino-1-fluoroprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenyl-2-methylprop-2-en-1-amine
CID 142070788

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenylpentan-1-amine?
The IUPAC name of 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenylpentan-1-amine (CID 142070801) is 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenylpentan-1-amine.
What is the SMILES notation for 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenylpentan-1-amine?
The canonical SMILES for 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenylpentan-1-amine is C=C(N)CC(CCCC)C(=O)N1CCCC1.C=CNCCCCC.
What is the InChIKey of 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenylpentan-1-amine?
The InChIKey is NLLMBHPJPHLPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.C7H15N/c1-3-4-7-12(10-11(2)14)13(16)15-8-5-6-9-15;1-3-5-6-7-8-4-2/h12H,2-10,14H2,1H3;4,8H,2-3,5-7H2,1H3.
What are the key properties of 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenylpentan-1-amine?
2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenylpentan-1-amine has a molecular weight of 337.55 g/mol, XLogP of 4.19, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoprop-2-enyl)-1-pyrrolidin-1-ylhexan-1-one;N-ethenylpentan-1-amine is sourced from PubChem (CID 142070801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).