tert-butyl N-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]carbamate;hydrochloride

C16H25ClN2O2 — CID 138015563

IUPACtert-butyl N-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NCc1ccc2c(c1)CCCC2N.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-16(2,3)20-15(19)18-10-11-7-8-13-12(9-11)5-4-6-14(13)17;/h7-9,14H,4-6,10,17H2,1-3H3,(H,18,19);1H
InChIKeyARIYUJTUVCKNGV-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.47
Rot. Bonds2

About tert-butyl N-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]carbamate;hydrochloride

tert-butyl N-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]carbamate;hydrochloride (PubChem CID 138015563) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is tert-butyl N-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]carbamate;hydrochloride
PubChem CID138015563
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC Nametert-butyl N-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NCc1ccc2c(c1)CCCC2N.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-16(2,3)20-15(19)18-10-11-7-8-13-12(9-11)5-4-6-14(13)17;/h7-9,14H,4-6,10,17H2,1-3H3,(H,18,19);1H
InChIKeyARIYUJTUVCKNGV-UHFFFAOYSA-N
XLogP3.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Carbamic acid, (10,11-dihydro-5H-dibenzo(a,d)cyclohepten-10-yl)-, ethyl ester
CID 35878
tert-butyl N-{[3-(aminomethyl)phenyl]methyl}carbamate hydrochloride
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tert-butyl N-[2-amino-2-(4-methylphenyl)ethyl]carbamate
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(2-Aminomethyl-benzyl)-carbamic acid tert-butyl ester
CID 23000607
tert-butyl N-((4-(2-aminoethyl)phenyl)methyl)carbamate
CID 23301824
tert-butyl N-(2-amino-1-(3-methylphenyl)ethyl)carbamate
CID 24689059
Tert-butyl 4-(aminomethyl)phenethylcarbamate
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Tert-butyl 6-(aminomethyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
CID 46864133
Tert-butyl (1-(4-(aminomethyl)phenyl)ethyl)carbamate
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tert-butyl N-(2-amino-2-(naphthalen-2-yl)ethyl)carbamate
CID 66523421

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]carbamate;hydrochloride?
The IUPAC name of tert-butyl N-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]carbamate;hydrochloride (CID 138015563) is tert-butyl N-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]carbamate;hydrochloride is CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCC2N.Cl.
What is the InChIKey of tert-butyl N-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]carbamate;hydrochloride?
The InChIKey is ARIYUJTUVCKNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-16(2,3)20-15(19)18-10-11-7-8-13-12(9-11)5-4-6-14(13)17;/h7-9,14H,4-6,10,17H2,1-3H3,(H,18,19);1H.
What are the key properties of tert-butyl N-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]carbamate;hydrochloride?
tert-butyl N-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]carbamate;hydrochloride has a molecular weight of 312.84 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-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)methyl]carbamate;hydrochloride is sourced from PubChem (CID 138015563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).