N-decyl-3-pyrrolidin-1-ylbutan-2-imine

C18H36N2 — CID 87079405

IUPACN-decyl-3-pyrrolidin-1-ylbutan-2-imine
SMILESCCCCCCCCCC/N=C(\C)C(C)N1CCCC1
InChIInChI=1S/C18H36N2/c1-4-5-6-7-8-9-10-11-14-19-17(2)18(3)20-15-12-13-16-20/h18H,4-16H2,1-3H3/b19-17+
InChIKeyDJSZPJHJOYTENH-HTXNQAPBSA-N
MW280.50 g/mol
LogP5.07
Rot. Bonds11

About N-decyl-3-pyrrolidin-1-ylbutan-2-imine

N-decyl-3-pyrrolidin-1-ylbutan-2-imine (PubChem CID 87079405) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-decyl-3-pyrrolidin-1-ylbutan-2-imine.

Molecular Properties

Compound NameN-decyl-3-pyrrolidin-1-ylbutan-2-imine
PubChem CID87079405
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-decyl-3-pyrrolidin-1-ylbutan-2-imine
SMILESCCCCCCCCCC/N=C(\C)C(C)N1CCCC1
InChIInChI=1S/C18H36N2/c1-4-5-6-7-8-9-10-11-14-19-17(2)18(3)20-15-12-13-16-20/h18H,4-16H2,1-3H3/b19-17+
InChIKeyDJSZPJHJOYTENH-HTXNQAPBSA-N
XLogP5.07
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-decyl-3-pyrrolidin-1-ylbutan-2-imine 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

N-hexadecyl-4-methylpentan-2-imine
CID 102140626
1-dodecan-2-ylpyrrolidine
CID 70871228
1-(23-methyltetracosan-7-yl)pyrrolidine
CID 69388285
2-nonyl-1-propan-2-ylguanidine
CID 111034727
1-(18-methylnonadecan-6-yl)pyrrolidine
CID 69395042
1,1-dicyclopentyl-N-pentylmethanimine
CID 21412176
N,N,2-trimethyl-N'-pentylpropanimidamide
CID 525910
1-hexadecan-5-ylpiperidine
CID 175488405
1-undecan-5-ylpiperidine
CID 174506253
1-octoxy-1-piperidin-1-ylpropan-2-ol
CID 22215371
1-[2-(azepan-1-yl)ethyl]-2-hexylguanidine
CID 111057000
1-decan-4-ylpiperidine
CID 142178259

Frequently Asked Questions

What is the IUPAC name of N-decyl-3-pyrrolidin-1-ylbutan-2-imine?
The IUPAC name of N-decyl-3-pyrrolidin-1-ylbutan-2-imine (CID 87079405) is N-decyl-3-pyrrolidin-1-ylbutan-2-imine.
What is the SMILES notation for N-decyl-3-pyrrolidin-1-ylbutan-2-imine?
The canonical SMILES for N-decyl-3-pyrrolidin-1-ylbutan-2-imine is CCCCCCCCCC/N=C(\C)C(C)N1CCCC1.
What is the InChIKey of N-decyl-3-pyrrolidin-1-ylbutan-2-imine?
The InChIKey is DJSZPJHJOYTENH-HTXNQAPBSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-5-6-7-8-9-10-11-14-19-17(2)18(3)20-15-12-13-16-20/h18H,4-16H2,1-3H3/b19-17+.
What are the key properties of N-decyl-3-pyrrolidin-1-ylbutan-2-imine?
N-decyl-3-pyrrolidin-1-ylbutan-2-imine has a molecular weight of 280.50 g/mol, XLogP of 5.07, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-3-pyrrolidin-1-ylbutan-2-imine is sourced from PubChem (CID 87079405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).