4-tert-butyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine

C16H30N2O — CID 101088592

IUPAC4-tert-butyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine
SMILESCOC[C@H]1CCCN1N=C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H30N2O/c1-16(2,3)13-7-9-14(10-8-13)17-18-11-5-6-15(18)12-19-4/h13,15H,5-12H2,1-4H3/b17-14-/t13?,15-/m1/s1
InChIKeyJDUFTLILAKSALW-OYKVUIGXSA-N
MW266.43 g/mol
LogP3.69
Rot. Bonds3

About 4-tert-butyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine

4-tert-butyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine (PubChem CID 101088592) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 4-tert-butyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine.

Molecular Properties

Compound Name4-tert-butyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine
PubChem CID101088592
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name4-tert-butyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine
SMILESCOC[C@H]1CCCN1N=C1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H30N2O/c1-16(2,3)13-7-9-14(10-8-13)17-18-11-5-6-15(18)12-19-4/h13,15H,5-12H2,1-4H3/b17-14-/t13?,15-/m1/s1
InChIKeyJDUFTLILAKSALW-OYKVUIGXSA-N
XLogP3.69
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]iminopiperidine-1-carboxylate
CID 11392788
(E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine
CID 177427534
N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenyl-1,3-dioxan-5-imine
CID 10589584
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohex-2-en-1-imine
CID 11009150
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1,3-dioxan-4-imine
CID 177488855
(Z,3R)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-methyloxan-2-imine
CID 10922226
(E)-N,N'-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentane-1,5-diimine
CID 10892701
(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine
CID 13198371
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-6-methyl-3,4-dihydro-2H-naphthalen-1-imine
CID 122519285
(E)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-pyridin-3-ylcyclohexan-1-imine
CID 173367055
N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3H-2-benzofuran-1-imine
CID 123830481
N-[2-(methoxymethyl)pyrrolidin-1-yl]pentan-2-imine
CID 71323940

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine?
The IUPAC name of 4-tert-butyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine (CID 101088592) is 4-tert-butyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine.
What is the SMILES notation for 4-tert-butyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine?
The canonical SMILES for 4-tert-butyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine is COC[C@H]1CCCN1N=C1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine?
The InChIKey is JDUFTLILAKSALW-OYKVUIGXSA-N. The full InChI is InChI=1S/C16H30N2O/c1-16(2,3)13-7-9-14(10-8-13)17-18-11-5-6-15(18)12-19-4/h13,15H,5-12H2,1-4H3/b17-14-/t13?,15-/m1/s1.
What are the key properties of 4-tert-butyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine?
4-tert-butyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine has a molecular weight of 266.43 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]cyclohexan-1-imine is sourced from PubChem (CID 101088592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).