tert-butyl 3-[(4-propan-2-ylcyclohexyl)amino]azetidine-1-carboxylate

C17H32N2O2 — CID 107241780

IUPACtert-butyl 3-[(4-propan-2-ylcyclohexyl)amino]azetidine-1-carboxylate
SMILESCC(C)C1CCC(NC2CN(C(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C17H32N2O2/c1-12(2)13-6-8-14(9-7-13)18-15-10-19(11-15)16(20)21-17(3,4)5/h12-15,18H,6-11H2,1-5H3
InChIKeySITCZIOAQWHLAA-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.41
Rot. Bonds3

About tert-butyl 3-[(4-propan-2-ylcyclohexyl)amino]azetidine-1-carboxylate

tert-butyl 3-[(4-propan-2-ylcyclohexyl)amino]azetidine-1-carboxylate (PubChem CID 107241780) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl 3-[(4-propan-2-ylcyclohexyl)amino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(4-propan-2-ylcyclohexyl)amino]azetidine-1-carboxylate
PubChem CID107241780
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl 3-[(4-propan-2-ylcyclohexyl)amino]azetidine-1-carboxylate
SMILESCC(C)C1CCC(NC2CN(C(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C17H32N2O2/c1-12(2)13-6-8-14(9-7-13)18-15-10-19(11-15)16(20)21-17(3,4)5/h12-15,18H,6-11H2,1-5H3
InChIKeySITCZIOAQWHLAA-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[(3-propan-2-ylcyclobutyl)amino]azetidine-1-carboxylate
CID 103578453
tert-butyl 3-(cyclobutylamino)azetidine-1-carboxylate
CID 53484509
tert-butyl 3-[[(4-propan-2-ylcyclohexyl)amino]methyl]azetidine-1-carboxylate
CID 58394498
tert-butyl 3-[(3-propan-2-ylcyclohexyl)amino]pyrrolidine-1-carboxylate
CID 107448863
tert-butyl 3-[[(3S)-pyrrolidin-3-yl]amino]azetidine-1-carboxylate
CID 67289806
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl (3S)-3-(thian-4-ylamino)pyrrolidine-1-carboxylate
CID 86609366
tert-butyl 3-[(3,3,5,5-tetramethylcyclohexyl)amino]azetidine-1-carboxylate
CID 103965667
tert-butyl 3-[(1-cyclopropyl-2-methoxyethyl)amino]azetidine-1-carboxylate
CID 103788187
tert-butyl 3-[(S)-cyclopropyl(hydroxy)methyl]azetidine-1-carboxylate
CID 154703134
tert-butyl 3-(1-cyclopropylethylamino)azepane-1-carboxylate
CID 103729707

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(4-propan-2-ylcyclohexyl)amino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(4-propan-2-ylcyclohexyl)amino]azetidine-1-carboxylate (CID 107241780) is tert-butyl 3-[(4-propan-2-ylcyclohexyl)amino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(4-propan-2-ylcyclohexyl)amino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(4-propan-2-ylcyclohexyl)amino]azetidine-1-carboxylate is CC(C)C1CCC(NC2CN(C(=O)OC(C)(C)C)C2)CC1.
What is the InChIKey of tert-butyl 3-[(4-propan-2-ylcyclohexyl)amino]azetidine-1-carboxylate?
The InChIKey is SITCZIOAQWHLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-12(2)13-6-8-14(9-7-13)18-15-10-19(11-15)16(20)21-17(3,4)5/h12-15,18H,6-11H2,1-5H3.
What are the key properties of tert-butyl 3-[(4-propan-2-ylcyclohexyl)amino]azetidine-1-carboxylate?
tert-butyl 3-[(4-propan-2-ylcyclohexyl)amino]azetidine-1-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(4-propan-2-ylcyclohexyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 107241780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).