tert-butyl N-[(1S,6S)-6-amino-6-methyl-4-phenylcyclohex-3-en-1-yl]carbamate

C18H26N2O2 — CID 175072356

IUPACtert-butyl N-[(1S,6S)-6-amino-6-methyl-4-phenylcyclohex-3-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC=C(c2ccccc2)C[C@]1(C)N
InChIInChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)20-15-11-10-14(12-18(15,4)19)13-8-6-5-7-9-13/h5-10,15H,11-12,19H2,1-4H3,(H,20,21)/t15-,18-/m0/s1
InChIKeyBPEHXBDRISBHGW-YJBOKZPZSA-N
MW302.42 g/mol
LogP3.47
Rot. Bonds2

About tert-butyl N-[(1S,6S)-6-amino-6-methyl-4-phenylcyclohex-3-en-1-yl]carbamate

tert-butyl N-[(1S,6S)-6-amino-6-methyl-4-phenylcyclohex-3-en-1-yl]carbamate (PubChem CID 175072356) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is tert-butyl N-[(1S,6S)-6-amino-6-methyl-4-phenylcyclohex-3-en-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,6S)-6-amino-6-methyl-4-phenylcyclohex-3-en-1-yl]carbamate
PubChem CID175072356
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Nametert-butyl N-[(1S,6S)-6-amino-6-methyl-4-phenylcyclohex-3-en-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CC=C(c2ccccc2)C[C@]1(C)N
InChIInChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)20-15-11-10-14(12-18(15,4)19)13-8-6-5-7-9-13/h5-10,15H,11-12,19H2,1-4H3,(H,20,21)/t15-,18-/m0/s1
InChIKeyBPEHXBDRISBHGW-YJBOKZPZSA-N
XLogP3.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(4-phenylphenyl)cyclopropyl]carbamate
CID 76800958
tert-butyl N-(1-amino-4-phenylcyclohexa-2,4-dien-1-yl)carbamate
CID 174422621
(1S)-3-(3-bromophenyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-ene-1-carboxylic acid
CID 159641817
[5,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopenten-1-yl] trifluoromethanesulfonate
CID 121317441
tert-butyl N-(2,2-dimethylcyclopropyl)carbamate
CID 65142866
trans-(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutane-1-carboxylic acid
CID 15819068
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylcyclopentane-1-carboxylic acid
CID 67252878
tert-butyl N-(2,2-dimethyl-3-oxocyclobutyl)carbamate
CID 84679804
tert-butyl N-(1-formyl-5-phenylcyclohexa-2,4-dien-1-yl)carbamate
CID 175485910
tert-butyl N-[3-(4-phenylphenyl)cyclohexyl]carbamate
CID 139378275
tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
CID 175560778

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,6S)-6-amino-6-methyl-4-phenylcyclohex-3-en-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1S,6S)-6-amino-6-methyl-4-phenylcyclohex-3-en-1-yl]carbamate (CID 175072356) is tert-butyl N-[(1S,6S)-6-amino-6-methyl-4-phenylcyclohex-3-en-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,6S)-6-amino-6-methyl-4-phenylcyclohex-3-en-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,6S)-6-amino-6-methyl-4-phenylcyclohex-3-en-1-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CC=C(c2ccccc2)C[C@]1(C)N.
What is the InChIKey of tert-butyl N-[(1S,6S)-6-amino-6-methyl-4-phenylcyclohex-3-en-1-yl]carbamate?
The InChIKey is BPEHXBDRISBHGW-YJBOKZPZSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-17(2,3)22-16(21)20-15-11-10-14(12-18(15,4)19)13-8-6-5-7-9-13/h5-10,15H,11-12,19H2,1-4H3,(H,20,21)/t15-,18-/m0/s1.
What are the key properties of tert-butyl N-[(1S,6S)-6-amino-6-methyl-4-phenylcyclohex-3-en-1-yl]carbamate?
tert-butyl N-[(1S,6S)-6-amino-6-methyl-4-phenylcyclohex-3-en-1-yl]carbamate has a molecular weight of 302.42 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,6S)-6-amino-6-methyl-4-phenylcyclohex-3-en-1-yl]carbamate is sourced from PubChem (CID 175072356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).