12-(benzylamino)-1-pyrrolidin-1-yldodecan-1-one

C23H38N2O — CID 146255651

IUPAC12-(benzylamino)-1-pyrrolidin-1-yldodecan-1-one
SMILESO=C(CCCCCCCCCCCNCc1ccccc1)N1CCCC1
InChIInChI=1S/C23H38N2O/c26-23(25-19-13-14-20-25)17-11-6-4-2-1-3-5-7-12-18-24-21-22-15-9-8-10-16-22/h8-10,15-16,24H,1-7,11-14,17-21H2
InChIKeyNBVLYSUINJWWJF-UHFFFAOYSA-N
MW358.57 g/mol
LogP5.30
Rot. Bonds14

About 12-(benzylamino)-1-pyrrolidin-1-yldodecan-1-one

12-(benzylamino)-1-pyrrolidin-1-yldodecan-1-one (PubChem CID 146255651) has the molecular formula C23H38N2O and a molecular weight of 358.57 g/mol. Its IUPAC name is 12-(benzylamino)-1-pyrrolidin-1-yldodecan-1-one.

Molecular Properties

Compound Name12-(benzylamino)-1-pyrrolidin-1-yldodecan-1-one
PubChem CID146255651
Molecular FormulaC23H38N2O
Molecular Weight358.57 g/mol
Exact Mass358.30
IUPAC Name12-(benzylamino)-1-pyrrolidin-1-yldodecan-1-one
SMILESO=C(CCCCCCCCCCCNCc1ccccc1)N1CCCC1
InChIInChI=1S/C23H38N2O/c26-23(25-19-13-14-20-25)17-11-6-4-2-1-3-5-7-12-18-24-21-22-15-9-8-10-16-22/h8-10,15-16,24H,1-7,11-14,17-21H2
InChIKeyNBVLYSUINJWWJF-UHFFFAOYSA-N
XLogP5.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.57
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309
1-(azepan-1-yl)-3-(3-phenylpropylamino)propan-1-one
CID 109030919
N-benzyl-6-piperidin-1-ylhexan-1-amine
CID 54404338
2-(4-phenylbutylamino)-1-pyrrolidin-1-ylethanone
CID 114333519
3-(benzylamino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 91054439
3-[[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]methyl]benzoic acid
CID 103263214
3-(benzylamino)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109018934
2-(3-phenylpropylamino)-1-pyrrolidin-1-ylethanone
CID 60672286
3-(benzylamino)-1-[12-[3-(benzylamino)propanoyl]-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]propan-1-one dichloride
CID 13397723
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
6-oxo-N-phenyl-6-piperidin-1-ylhexanamide
CID 10850910
N-[6-[4-[4-[(2-ethylphenyl)methylamino]butanoyl]piperazin-1-yl]-6-oxohexyl]formamide
CID 177221332

Frequently Asked Questions

What is the IUPAC name of 12-(benzylamino)-1-pyrrolidin-1-yldodecan-1-one?
The IUPAC name of 12-(benzylamino)-1-pyrrolidin-1-yldodecan-1-one (CID 146255651) is 12-(benzylamino)-1-pyrrolidin-1-yldodecan-1-one.
What is the SMILES notation for 12-(benzylamino)-1-pyrrolidin-1-yldodecan-1-one?
The canonical SMILES for 12-(benzylamino)-1-pyrrolidin-1-yldodecan-1-one is O=C(CCCCCCCCCCCNCc1ccccc1)N1CCCC1.
What is the InChIKey of 12-(benzylamino)-1-pyrrolidin-1-yldodecan-1-one?
The InChIKey is NBVLYSUINJWWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2O/c26-23(25-19-13-14-20-25)17-11-6-4-2-1-3-5-7-12-18-24-21-22-15-9-8-10-16-22/h8-10,15-16,24H,1-7,11-14,17-21H2.
What are the key properties of 12-(benzylamino)-1-pyrrolidin-1-yldodecan-1-one?
12-(benzylamino)-1-pyrrolidin-1-yldodecan-1-one has a molecular weight of 358.57 g/mol, XLogP of 5.30, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(benzylamino)-1-pyrrolidin-1-yldodecan-1-one is sourced from PubChem (CID 146255651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).