N,1-ditert-butylpyrrolidin-2-imine

C12H24N2 — CID 156516446

IUPACN,1-ditert-butylpyrrolidin-2-imine
SMILESCC(C)(C)/N=C1\CCCN1C(C)(C)C
InChIInChI=1S/C12H24N2/c1-11(2,3)13-10-8-7-9-14(10)12(4,5)6/h7-9H2,1-6H3/b13-10+
InChIKeyUYIVFDSGLFJTFJ-JLHYYAGUSA-N
MW196.34 g/mol
LogP3.08
Rot. Bonds

About N,1-ditert-butylpyrrolidin-2-imine

N,1-ditert-butylpyrrolidin-2-imine (PubChem CID 156516446) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N,1-ditert-butylpyrrolidin-2-imine.

Molecular Properties

Compound NameN,1-ditert-butylpyrrolidin-2-imine
PubChem CID156516446
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN,1-ditert-butylpyrrolidin-2-imine
SMILESCC(C)(C)/N=C1\CCCN1C(C)(C)C
InChIInChI=1S/C12H24N2/c1-11(2,3)13-10-8-7-9-14(10)12(4,5)6/h7-9H2,1-6H3/b13-10+
InChIKeyUYIVFDSGLFJTFJ-JLHYYAGUSA-N
XLogP3.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butylpyrrolidin-2-one;ethane
CID 143067264
1,3-ditert-butyl-1,3-diazepan-2-one
CID 59066323
1-tert-butylazetidine-2-thione;1-tert-butylpiperidine-2-thione;1-tert-butylpyrrolidine-2-thione
CID 162149007
1-tert-butyl-2-propan-2-ylidenepiperidine
CID 155014498
1-tert-butyl-3-methylimidazolidin-2-one;bis(1-tert-butylpyrrolidin-2-one)
CID 167559472
7-tert-butyl-1,4,5,6-tetrahydropyrrolo[2,3-b]pyridine
CID 146338933
1-tert-butyl-3-methylimidazolidin-2-one;1-tert-butylpyrrolidin-2-one
CID 161035716
N-(1-methylpyrrolidin-2-ylidene)hydroxylamine
CID 91177351
2,7-ditert-butyl-2,7-diazabicyclo[3.2.0]hept-1(5)-ene
CID 170053717
1-tert-butyl-3-propan-2-yl-1,3-diazinan-2-one
CID 131992272
1-tert-butylpyrrolidin-2-one;2-tert-butyl-1,2-thiazolidine 1,1-dioxide
CID 159975353
1-tert-butyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrimidine
CID 167541074

Frequently Asked Questions

What is the IUPAC name of N,1-ditert-butylpyrrolidin-2-imine?
The IUPAC name of N,1-ditert-butylpyrrolidin-2-imine (CID 156516446) is N,1-ditert-butylpyrrolidin-2-imine.
What is the SMILES notation for N,1-ditert-butylpyrrolidin-2-imine?
The canonical SMILES for N,1-ditert-butylpyrrolidin-2-imine is CC(C)(C)/N=C1\CCCN1C(C)(C)C.
What is the InChIKey of N,1-ditert-butylpyrrolidin-2-imine?
The InChIKey is UYIVFDSGLFJTFJ-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H24N2/c1-11(2,3)13-10-8-7-9-14(10)12(4,5)6/h7-9H2,1-6H3/b13-10+.
What are the key properties of N,1-ditert-butylpyrrolidin-2-imine?
N,1-ditert-butylpyrrolidin-2-imine has a molecular weight of 196.34 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-ditert-butylpyrrolidin-2-imine is sourced from PubChem (CID 156516446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).