N-tert-butyl-1,1-dipyrrolidin-1-ylmethanimine

C13H25N3 — CID 165163690

IUPACN-tert-butyl-1,1-dipyrrolidin-1-ylmethanimine
SMILESCC(C)(C)N=C(N1CCCC1)N1CCCC1
InChIInChI=1S/C13H25N3/c1-13(2,3)14-12(15-8-4-5-9-15)16-10-6-7-11-16/h4-11H2,1-3H3
InChIKeySIWNMRUFRFIFDR-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.33
Rot. Bonds

About N-tert-butyl-1,1-dipyrrolidin-1-ylmethanimine

N-tert-butyl-1,1-dipyrrolidin-1-ylmethanimine (PubChem CID 165163690) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-tert-butyl-1,1-dipyrrolidin-1-ylmethanimine.

Molecular Properties

Compound NameN-tert-butyl-1,1-dipyrrolidin-1-ylmethanimine
PubChem CID165163690
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-tert-butyl-1,1-dipyrrolidin-1-ylmethanimine
SMILESCC(C)(C)N=C(N1CCCC1)N1CCCC1
InChIInChI=1S/C13H25N3/c1-13(2,3)14-12(15-8-4-5-9-15)16-10-6-7-11-16/h4-11H2,1-3H3
InChIKeySIWNMRUFRFIFDR-UHFFFAOYSA-N
XLogP2.33
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-tert-butyl-1,1-dipyrrolidin-1-ylmethanimine 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'-tert-butylazocane-1-carboximidamide
CID 62361042
1,1-bis(azetidin-1-yl)-N-methylmethanimine
CID 166858642
N,2,2-trimethyl-1-pyrrolidin-1-ylpropan-1-imine
CID 58320086
dipyrrolidin-1-ylmethylidenecyanamide
CID 101164131
N'-methylazocane-1-carboximidamide
CID 62359325
ethane;N-methyl-1-morpholin-4-yl-1-pyrrolidin-1-ylmethanimine
CID 176964319
(dipyrrolidin-1-ylmethylideneamino)-methylphosphinate
CID 161114274
N'-tert-butyl-4-methylpiperazine-1-carboximidamide
CID 62361022
N-tert-butyl-1,1-dicyclohexylmethanimine
CID 59775247
N-tert-butyl-2,2-dimethyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958414
N-methyl-1-pyrrolidin-1-ylethanimine
CID 18728217
1-(3,3-difluorobut-1-en-2-yl)piperidine
CID 142415656

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1,1-dipyrrolidin-1-ylmethanimine?
The IUPAC name of N-tert-butyl-1,1-dipyrrolidin-1-ylmethanimine (CID 165163690) is N-tert-butyl-1,1-dipyrrolidin-1-ylmethanimine.
What is the SMILES notation for N-tert-butyl-1,1-dipyrrolidin-1-ylmethanimine?
The canonical SMILES for N-tert-butyl-1,1-dipyrrolidin-1-ylmethanimine is CC(C)(C)N=C(N1CCCC1)N1CCCC1.
What is the InChIKey of N-tert-butyl-1,1-dipyrrolidin-1-ylmethanimine?
The InChIKey is SIWNMRUFRFIFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-13(2,3)14-12(15-8-4-5-9-15)16-10-6-7-11-16/h4-11H2,1-3H3.
What are the key properties of N-tert-butyl-1,1-dipyrrolidin-1-ylmethanimine?
N-tert-butyl-1,1-dipyrrolidin-1-ylmethanimine has a molecular weight of 223.36 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1,1-dipyrrolidin-1-ylmethanimine is sourced from PubChem (CID 165163690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).