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

C19H30N2O2 — CID 107250366

IUPACtert-butyl N-[1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-2-yl]carbamate
SMILESCCC(CNC1CCCc2ccccc21)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-5-15(21-18(22)23-19(2,3)4)13-20-17-12-8-10-14-9-6-7-11-16(14)17/h6-7,9,11,15,17,20H,5,8,10,12-13H2,1-4H3,(H,21,22)
InChIKeyCXJPZDVGWJGIFC-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.96
Rot. Bonds5

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

tert-butyl N-[1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-2-yl]carbamate (PubChem CID 107250366) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-2-yl]carbamate
PubChem CID107250366
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-2-yl]carbamate
SMILESCCC(CNC1CCCc2ccccc21)NC(=O)OC(C)(C)C
InChIInChI=1S/C19H30N2O2/c1-5-15(21-18(22)23-19(2,3)4)13-20-17-12-8-10-14-9-6-7-11-16(14)17/h6-7,9,11,15,17,20H,5,8,10,12-13H2,1-4H3,(H,21,22)
InChIKeyCXJPZDVGWJGIFC-UHFFFAOYSA-N
XLogP3.96
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]butan-2-yl]carbamate
CID 107250248
tert-butyl N-[1-cyclopropyl-2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]carbamate
CID 103905914
tert-butyl N-(1,2,3,4-tetrahydronaphthalen-1-ylsulfamoylamino)carbamate
CID 134106785
tert-butyl N-[1-[(2-tert-butylcyclohexyl)amino]butan-2-yl]carbamate
CID 107250173
2-methyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43652090
tert-butyl N-[(2S)-1-[[5,5-dimethoxy-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pentan-2-yl]amino]-4-hydroxy-1-oxobutan-2-yl]carbamate
CID 90201975
tert-butyl 3-(2,3-dihydro-1H-inden-1-ylamino)propanoate
CID 113262066
3-ethyl-2-N,2-N-dimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentane-1,2-diamine
CID 43101560
(2R)-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
CID 103922723
methyl 2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)acetate
CID 19794096
N-(3-methyl-2-propan-2-ylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 102904359
3-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-1-ol
CID 66091347

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-2-yl]carbamate (CID 107250366) is tert-butyl N-[1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-2-yl]carbamate is CCC(CNC1CCCc2ccccc21)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-2-yl]carbamate?
The InChIKey is CXJPZDVGWJGIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-5-15(21-18(22)23-19(2,3)4)13-20-17-12-8-10-14-9-6-7-11-16(14)17/h6-7,9,11,15,17,20H,5,8,10,12-13H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-2-yl]carbamate?
tert-butyl N-[1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-2-yl]carbamate has a molecular weight of 318.46 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-[1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butan-2-yl]carbamate is sourced from PubChem (CID 107250366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).