tert-butyl N-[6-[(butan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate

C20H32N2O2 — CID 59486441

IUPACtert-butyl N-[6-[(butan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
SMILESCCC(C)NCc1ccc2c(c1)CCC(NC(=O)OC(C)(C)C)C2
InChIInChI=1S/C20H32N2O2/c1-6-14(2)21-13-15-7-8-17-12-18(10-9-16(17)11-15)22-19(23)24-20(3,4)5/h7-8,11,14,18,21H,6,9-10,12-13H2,1-5H3,(H,22,23)
InChIKeyCXMYJXGTPQFOSL-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.96
Rot. Bonds5

About tert-butyl N-[6-[(butan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate

tert-butyl N-[6-[(butan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate (PubChem CID 59486441) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is tert-butyl N-[6-[(butan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[6-[(butan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
PubChem CID59486441
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Nametert-butyl N-[6-[(butan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
SMILESCCC(C)NCc1ccc2c(c1)CCC(NC(=O)OC(C)(C)C)C2
InChIInChI=1S/C20H32N2O2/c1-6-14(2)21-13-15-7-8-17-12-18(10-9-16(17)11-15)22-19(23)24-20(3,4)5/h7-8,11,14,18,21H,6,9-10,12-13H2,1-5H3,(H,22,23)
InChIKeyCXMYJXGTPQFOSL-UHFFFAOYSA-N
XLogP3.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[6-[(butan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[6-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 57234940
N-[(2S)-6-[(butan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 59505992
tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
tert-butyl N-(5-propyl-2,3-dihydro-1H-inden-2-yl)carbamate
CID 71098528
ethyl 7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 19386082
N-methyl-6-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 69193953
tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 22182075
2-[[7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 22182086
tert-butyl N-[7-(pentylamino)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 67920486
benzyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetate
CID 23298487
tert-butyl N-[(2R)-7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 124560791
tert-butyl N-(7-bromo-6-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 66679493

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-[(butan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
The IUPAC name of tert-butyl N-[6-[(butan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate (CID 59486441) is tert-butyl N-[6-[(butan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[6-[(butan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[6-[(butan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate is CCC(C)NCc1ccc2c(c1)CCC(NC(=O)OC(C)(C)C)C2.
What is the InChIKey of tert-butyl N-[6-[(butan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
The InChIKey is CXMYJXGTPQFOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-6-14(2)21-13-15-7-8-17-12-18(10-9-16(17)11-15)22-19(23)24-20(3,4)5/h7-8,11,14,18,21H,6,9-10,12-13H2,1-5H3,(H,22,23).
What are the key properties of tert-butyl N-[6-[(butan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate?
tert-butyl N-[6-[(butan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate has a molecular weight of 332.49 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-[(butan-2-ylamino)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate is sourced from PubChem (CID 59486441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).