tert-butyl N-[2-(naphthalen-1-ylmethylamino)propyl]carbamate

C19H26N2O2 — CID 103389782

IUPACtert-butyl N-[2-(naphthalen-1-ylmethylamino)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCc1cccc2ccccc12
InChIInChI=1S/C19H26N2O2/c1-14(12-21-18(22)23-19(2,3)4)20-13-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,14,20H,12-13H2,1-4H3,(H,21,22)
InChIKeyXPKQZZDSKANKDF-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.84
Rot. Bonds5

About tert-butyl N-[2-(naphthalen-1-ylmethylamino)propyl]carbamate

tert-butyl N-[2-(naphthalen-1-ylmethylamino)propyl]carbamate (PubChem CID 103389782) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is tert-butyl N-[2-(naphthalen-1-ylmethylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(naphthalen-1-ylmethylamino)propyl]carbamate
PubChem CID103389782
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Nametert-butyl N-[2-(naphthalen-1-ylmethylamino)propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)NCc1cccc2ccccc12
InChIInChI=1S/C19H26N2O2/c1-14(12-21-18(22)23-19(2,3)4)20-13-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,14,20H,12-13H2,1-4H3,(H,21,22)
InChIKeyXPKQZZDSKANKDF-UHFFFAOYSA-N
XLogP3.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(naphthalen-2-yl)ethyl]carbamate
CID 11523212
tert-butyl N-[(1S)-1-[(cyanomethyl)carbamoyl]-2-(naphthalen-1-yl)ethyl]carbamate
CID 11710096
tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857
(R)-N-(naphthalen-2-ylmethyl)-N-(pyrrolidin-3-yl)propionamide
CID 11543737
(R)-N-(naphthalen-2-ylmethyl)-N-(pyrrolidin-3-yl)acetamide
CID 11572546
(S)-ethyl biphenyl-2-ylmethyl(pyrrolidin-3-yl)carbamate
CID 24962988
Biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-carbamic acid methyl ester
CID 25195291
Biphenyl-2-ylmethyl-(R)-pyrrolidin-3-yl-carbamic acid ethyl ester
CID 44578271
Biphenyl-2-ylmethyl-(S)-pyrrolidin-3-yl-carbamic acid isopropyl ester
CID 44578370
tert-butyl N-[[3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]phenyl]methyl]carbamate
CID 53324839
tert-butyl N-[4-[3-[bis(naphthalen-2-ylmethyl)amino]propylamino]butyl]carbamate
CID 145983229
tert-butyl N-[(1R)-2-amino-1-phenylethyl]carbamate
CID 15675183

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(naphthalen-1-ylmethylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(naphthalen-1-ylmethylamino)propyl]carbamate (CID 103389782) is tert-butyl N-[2-(naphthalen-1-ylmethylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(naphthalen-1-ylmethylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(naphthalen-1-ylmethylamino)propyl]carbamate is CC(CNC(=O)OC(C)(C)C)NCc1cccc2ccccc12.
What is the InChIKey of tert-butyl N-[2-(naphthalen-1-ylmethylamino)propyl]carbamate?
The InChIKey is XPKQZZDSKANKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14(12-21-18(22)23-19(2,3)4)20-13-16-10-7-9-15-8-5-6-11-17(15)16/h5-11,14,20H,12-13H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[2-(naphthalen-1-ylmethylamino)propyl]carbamate?
tert-butyl N-[2-(naphthalen-1-ylmethylamino)propyl]carbamate has a molecular weight of 314.43 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(naphthalen-1-ylmethylamino)propyl]carbamate is sourced from PubChem (CID 103389782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).