N-tert-butyl-1-pyrrolidin-1-ylmethanimine

C9H18N2 — CID 551065

IUPACN-tert-butyl-1-pyrrolidin-1-ylmethanimine
SMILESCC(C)(C)/N=C/N1CCCC1
InChIInChI=1S/C9H18N2/c1-9(2,3)10-8-11-6-4-5-7-11/h8H,4-7H2,1-3H3/b10-8+
InChIKeyRQMLAKVFFFZNBP-CSKARUKUSA-N
MW154.26 g/mol
LogP1.91
Rot. Bonds1

About N-tert-butyl-1-pyrrolidin-1-ylmethanimine

N-tert-butyl-1-pyrrolidin-1-ylmethanimine (PubChem CID 551065) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-tert-butyl-1-pyrrolidin-1-ylmethanimine.

Molecular Properties

Compound NameN-tert-butyl-1-pyrrolidin-1-ylmethanimine
PubChem CID551065
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-tert-butyl-1-pyrrolidin-1-ylmethanimine
SMILESCC(C)(C)/N=C/N1CCCC1
InChIInChI=1S/C9H18N2/c1-9(2,3)10-8-11-6-4-5-7-11/h8H,4-7H2,1-3H3/b10-8+
InChIKeyRQMLAKVFFFZNBP-CSKARUKUSA-N
XLogP1.91
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.91
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-pyrrolidin-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-butyl-1-[4-(tert-butyliminomethyl)piperazin-1-yl]methanimine
CID 117060772
N-tert-butyl-1-[(3R)-3-methylpiperidin-1-yl]methanimine
CID 100938866
azetidin-1-yl N-tert-butylmethanimidate
CID 58789176
lithium N-tert-butyl-1-(4-phenyl-3,6-dihydro-2H-pyridin-6-id-1-yl)methanimine
CID 134871727
(E)-2,2-dimethyl-N-pyrrolidin-1-ylpropan-1-imine
CID 155476105
2,2-dimethylpropanal;1-methylpyrrolidine
CID 142864246
(Z)-3,3-dimethyl-1-piperidin-1-ylbut-1-en-2-olate
CID 165157100
N-tert-butyl-1,1-dipyrrolidin-1-ylmethanimine
CID 165163690
2-[(E)-piperidin-1-ylmethylideneamino]guanidine;hydrochloride
CID 54599948
1-[3-(tert-butyliminomethyl)spiro[1,3-benzothiazole-2,4'-piperidine]-1'-yl]ethanone
CID 46910960
1-[(E)-prop-1-enyl]piperidine
CID 5463479
2-hydroxy-2-pyrrolidin-1-ylpropanal
CID 87834675

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-pyrrolidin-1-ylmethanimine?
The IUPAC name of N-tert-butyl-1-pyrrolidin-1-ylmethanimine (CID 551065) is N-tert-butyl-1-pyrrolidin-1-ylmethanimine.
What is the SMILES notation for N-tert-butyl-1-pyrrolidin-1-ylmethanimine?
The canonical SMILES for N-tert-butyl-1-pyrrolidin-1-ylmethanimine is CC(C)(C)/N=C/N1CCCC1.
What is the InChIKey of N-tert-butyl-1-pyrrolidin-1-ylmethanimine?
The InChIKey is RQMLAKVFFFZNBP-CSKARUKUSA-N. The full InChI is InChI=1S/C9H18N2/c1-9(2,3)10-8-11-6-4-5-7-11/h8H,4-7H2,1-3H3/b10-8+.
What are the key properties of N-tert-butyl-1-pyrrolidin-1-ylmethanimine?
N-tert-butyl-1-pyrrolidin-1-ylmethanimine has a molecular weight of 154.26 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-pyrrolidin-1-ylmethanimine is sourced from PubChem (CID 551065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).