tert-butyl N-[[4-(4-aminophenyl)cyclohexyl]methyl]carbamate

C18H28N2O2 — CID 59464204

IUPACtert-butyl N-[[4-(4-aminophenyl)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCC(c2ccc(N)cc2)CC1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20-12-13-4-6-14(7-5-13)15-8-10-16(19)11-9-15/h8-11,13-14H,4-7,12,19H2,1-3H3,(H,20,21)
InChIKeyYPBMXYNNPWOUSI-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.07
Rot. Bonds3

About tert-butyl N-[[4-(4-aminophenyl)cyclohexyl]methyl]carbamate

tert-butyl N-[[4-(4-aminophenyl)cyclohexyl]methyl]carbamate (PubChem CID 59464204) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl N-[[4-(4-aminophenyl)cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(4-aminophenyl)cyclohexyl]methyl]carbamate
PubChem CID59464204
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nametert-butyl N-[[4-(4-aminophenyl)cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCC(c2ccc(N)cc2)CC1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20-12-13-4-6-14(7-5-13)15-8-10-16(19)11-9-15/h8-11,13-14H,4-7,12,19H2,1-3H3,(H,20,21)
InChIKeyYPBMXYNNPWOUSI-UHFFFAOYSA-N
XLogP4.07
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[[1-(4-aminophenyl)sulfonylpiperidin-4-yl]methyl]carbamate
CID 23553541
tert-butyl N-[[1-[[1-(4-aminophenyl)piperidin-4-yl]methyl]piperidin-4-yl]methyl]carbamate
CID 171652249
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
CID 58962901
tert-butyl N-[[1-(4-amino-2-fluorophenyl)pyrrolidin-3-yl]methyl]carbamate
CID 68988251
tert-butyl N-[(3-aminooxycyclobutyl)methyl]carbamate
CID 22408679
tert-butyl N-[[4-(2-aminoacetyl)cyclohexyl]methyl]carbamate
CID 82379242
benzyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexane-1-carboxylate
CID 150065118
tert-butyl N-[(4-hydroxy-4-methylcyclohexyl)methyl]carbamate
CID 86647903
tert-butyl N-[[4-(3-phenylpiperidine-1-carbonyl)cyclohexyl]methyl]carbamate
CID 164832714
tert-butyl N-[(4-ethynylcyclohexyl)methyl]carbamate
CID 121207022

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(4-aminophenyl)cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(4-aminophenyl)cyclohexyl]methyl]carbamate (CID 59464204) is tert-butyl N-[[4-(4-aminophenyl)cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(4-aminophenyl)cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(4-aminophenyl)cyclohexyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCC(c2ccc(N)cc2)CC1.
What is the InChIKey of tert-butyl N-[[4-(4-aminophenyl)cyclohexyl]methyl]carbamate?
The InChIKey is YPBMXYNNPWOUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20-12-13-4-6-14(7-5-13)15-8-10-16(19)11-9-15/h8-11,13-14H,4-7,12,19H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[[4-(4-aminophenyl)cyclohexyl]methyl]carbamate?
tert-butyl N-[[4-(4-aminophenyl)cyclohexyl]methyl]carbamate has a molecular weight of 304.43 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(4-aminophenyl)cyclohexyl]methyl]carbamate is sourced from PubChem (CID 59464204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).