tert-butyl N-(4-amino-4-prop-2-enylcyclohexyl)carbamate

C14H26N2O2 — CID 172506424

IUPACtert-butyl N-(4-amino-4-prop-2-enylcyclohexyl)carbamate
SMILESC=CCC1(N)CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O2/c1-5-8-14(15)9-6-11(7-10-14)16-12(17)18-13(2,3)4/h5,11H,1,6-10,15H2,2-4H3,(H,16,17)
InChIKeySGJSKKNDSOQZDZ-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.73
Rot. Bonds3

About tert-butyl N-(4-amino-4-prop-2-enylcyclohexyl)carbamate

tert-butyl N-(4-amino-4-prop-2-enylcyclohexyl)carbamate (PubChem CID 172506424) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl N-(4-amino-4-prop-2-enylcyclohexyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-amino-4-prop-2-enylcyclohexyl)carbamate
PubChem CID172506424
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl N-(4-amino-4-prop-2-enylcyclohexyl)carbamate
SMILESC=CCC1(N)CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O2/c1-5-8-14(15)9-6-11(7-10-14)16-12(17)18-13(2,3)4/h5,11H,1,6-10,15H2,2-4H3,(H,16,17)
InChIKeySGJSKKNDSOQZDZ-UHFFFAOYSA-N
XLogP2.73
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-hydroxy-4-(iodomethyl)cyclohexyl]carbamate
CID 134289716
2-[1-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]acetic acid
CID 86722962
tert-butyl N-(2-oxospiro[3.5]nonan-7-yl)carbamate
CID 130068094
tert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate
CID 174975403
tert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride
CID 155895653
tert-butyl N-[(2S)-2-(aminomethyl)-1-oxaspiro[4.5]decan-8-yl]carbamate
CID 125449749
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-(3-amino-3-methylcyclobutyl)carbamate
CID 71280569
tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate
CID 58484972
tert-butyl N-cyclopropylcarbamate;ethene;ethyl formate
CID 143611566
tert-butyl N-[4-[(1-methylcyclopropyl)methylamino]cyclohexyl]carbamate
CID 103948953
tert-butyl N-[4-[(5-ethenylpyrimidin-2-yl)amino]cyclohexyl]carbamate
CID 146882600

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-amino-4-prop-2-enylcyclohexyl)carbamate?
The IUPAC name of tert-butyl N-(4-amino-4-prop-2-enylcyclohexyl)carbamate (CID 172506424) is tert-butyl N-(4-amino-4-prop-2-enylcyclohexyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-amino-4-prop-2-enylcyclohexyl)carbamate?
The canonical SMILES for tert-butyl N-(4-amino-4-prop-2-enylcyclohexyl)carbamate is C=CCC1(N)CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-(4-amino-4-prop-2-enylcyclohexyl)carbamate?
The InChIKey is SGJSKKNDSOQZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-8-14(15)9-6-11(7-10-14)16-12(17)18-13(2,3)4/h5,11H,1,6-10,15H2,2-4H3,(H,16,17).
What are the key properties of tert-butyl N-(4-amino-4-prop-2-enylcyclohexyl)carbamate?
tert-butyl N-(4-amino-4-prop-2-enylcyclohexyl)carbamate has a molecular weight of 254.37 g/mol, XLogP of 2.73, 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-amino-4-prop-2-enylcyclohexyl)carbamate is sourced from PubChem (CID 172506424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).