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

C18H34N2O2 — CID 58394498

IUPACtert-butyl 3-[[(4-propan-2-ylcyclohexyl)amino]methyl]azetidine-1-carboxylate
SMILESCC(C)C1CCC(NCC2CN(C(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C18H34N2O2/c1-13(2)15-6-8-16(9-7-15)19-10-14-11-20(12-14)17(21)22-18(3,4)5/h13-16,19H,6-12H2,1-5H3
InChIKeyJWCIVOPABAJXMP-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.66
Rot. Bonds4

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

tert-butyl 3-[[(4-propan-2-ylcyclohexyl)amino]methyl]azetidine-1-carboxylate (PubChem CID 58394498) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl 3-[[(4-propan-2-ylcyclohexyl)amino]methyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[(4-propan-2-ylcyclohexyl)amino]methyl]azetidine-1-carboxylate
PubChem CID58394498
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl 3-[[(4-propan-2-ylcyclohexyl)amino]methyl]azetidine-1-carboxylate
SMILESCC(C)C1CCC(NCC2CN(C(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C18H34N2O2/c1-13(2)15-6-8-16(9-7-15)19-10-14-11-20(12-14)17(21)22-18(3,4)5/h13-16,19H,6-12H2,1-5H3
InChIKeyJWCIVOPABAJXMP-UHFFFAOYSA-N
XLogP3.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[(4-propan-2-ylcyclohexyl)amino]azetidine-1-carboxylate
CID 107241780
tert-butyl 3-(cyclohexylmethylamino)azetidine-1-carboxylate
CID 63302844
tert-butyl 3-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 104530945
tert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate
CID 96995948
tert-butyl 3-(cyclopropylmethylamino)-5-methylpiperidine-1-carboxylate
CID 83996404
tert-butyl (3R)-3-[(oxan-4-ylamino)methyl]pyrrolidine-1-carboxylate
CID 68999639
tert-butyl 3-[(piperidin-4-ylamino)methyl]pyrrolidine-1-carboxylate
CID 107242457
tert-butyl 3-[(3-hydroxycyclohexyl)methylamino]azetidine-1-carboxylate
CID 102672364
tert-butyl 3-[[(1,1-dioxothian-4-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 107242420
tert-butyl (3S,4S)-3-[(cyclopropylamino)methyl]-4-fluoropyrrolidine-1-carboxylate
CID 66705198
tert-butyl 3-[(thiolan-3-ylamino)methyl]pyrrolidine-1-carboxylate
CID 75504138
tert-butyl 3-[(3-propan-2-ylcyclobutyl)amino]azetidine-1-carboxylate
CID 103578453

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[(4-propan-2-ylcyclohexyl)amino]methyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[(4-propan-2-ylcyclohexyl)amino]methyl]azetidine-1-carboxylate (CID 58394498) is tert-butyl 3-[[(4-propan-2-ylcyclohexyl)amino]methyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[(4-propan-2-ylcyclohexyl)amino]methyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[(4-propan-2-ylcyclohexyl)amino]methyl]azetidine-1-carboxylate is CC(C)C1CCC(NCC2CN(C(=O)OC(C)(C)C)C2)CC1.
What is the InChIKey of tert-butyl 3-[[(4-propan-2-ylcyclohexyl)amino]methyl]azetidine-1-carboxylate?
The InChIKey is JWCIVOPABAJXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-13(2)15-6-8-16(9-7-15)19-10-14-11-20(12-14)17(21)22-18(3,4)5/h13-16,19H,6-12H2,1-5H3.
What are the key properties of tert-butyl 3-[[(4-propan-2-ylcyclohexyl)amino]methyl]azetidine-1-carboxylate?
tert-butyl 3-[[(4-propan-2-ylcyclohexyl)amino]methyl]azetidine-1-carboxylate has a molecular weight of 310.48 g/mol, XLogP of 3.66, 4 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]methyl]azetidine-1-carboxylate is sourced from PubChem (CID 58394498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).