tert-butyl N-[4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate

C21H32N2O2 — CID 77144961

IUPACtert-butyl N-[4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(CNC2CC2c2ccccc2)CC1
InChIInChI=1S/C21H32N2O2/c1-21(2,3)25-20(24)23-17-11-9-15(10-12-17)14-22-19-13-18(19)16-7-5-4-6-8-16/h4-8,15,17-19,22H,9-14H2,1-3H3,(H,23,24)
InChIKeyZXFONCYPBPFEQV-UHFFFAOYSA-N
MW344.50 g/mol
LogP4.22
Rot. Bonds5

About tert-butyl N-[4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate

tert-butyl N-[4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate (PubChem CID 77144961) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is tert-butyl N-[4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate
PubChem CID77144961
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC Nametert-butyl N-[4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(CNC2CC2c2ccccc2)CC1
InChIInChI=1S/C21H32N2O2/c1-21(2,3)25-20(24)23-17-11-9-15(10-12-17)14-22-19-13-18(19)16-7-5-4-6-8-16/h4-8,15,17-19,22H,9-14H2,1-3H3,(H,23,24)
InChIKeyZXFONCYPBPFEQV-UHFFFAOYSA-N
XLogP4.22
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[[[(2R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 138722566
tert-butyl 4-[[[(1S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 70810888
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]carbamate;carbonic acid
CID 70980362
tert-butyl N-[2-(4-phenylphenyl)cyclopropyl]carbamate
CID 76800958
1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone
CID 77144981
tert-butyl 3-[(2-phenylcyclopropyl)amino]propanoate
CID 103244657
tert-butyl N-[1-[N'-ethyl-N-(2-phenylcyclopropyl)carbamimidoyl]pyrrolidin-3-yl]carbamate
CID 111730451
tert-butyl N-[(1R,3S)-3-(benzenesulfonylmethyl)cyclopentyl]carbamate
CID 21109996
tert-butyl N-[(1R,2S)-2-(4-cyclopropylphenyl)cyclopropyl]carbamate
CID 86708265
tert-butyl N-[5-(benzylamino)-2-methylcyclohexyl]carbamate
CID 68550371
tert-butyl N-[3-[[[dimethoxy(phenyl)methyl]amino]methyl]cyclopentyl]carbamate
CID 69148440

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate (CID 77144961) is tert-butyl N-[4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCC(CNC2CC2c2ccccc2)CC1.
What is the InChIKey of tert-butyl N-[4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate?
The InChIKey is ZXFONCYPBPFEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-21(2,3)25-20(24)23-17-11-9-15(10-12-17)14-22-19-13-18(19)16-7-5-4-6-8-16/h4-8,15,17-19,22H,9-14H2,1-3H3,(H,23,24).
What are the key properties of tert-butyl N-[4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate?
tert-butyl N-[4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate has a molecular weight of 344.50 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate is sourced from PubChem (CID 77144961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).