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

C18H26N2O2 — CID 107237938

IUPACtert-butyl N-[2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1NC1CCc2ccccc2C1
InChIInChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)20-16-11-15(16)19-14-9-8-12-6-4-5-7-13(12)10-14/h4-7,14-16,19H,8-11H2,1-3H3,(H,20,21)
InChIKeyWIQTVIUFFHXOGK-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.80
Rot. Bonds3

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

tert-butyl N-[2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)cyclopropyl]carbamate (PubChem CID 107237938) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is tert-butyl N-[2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)cyclopropyl]carbamate
PubChem CID107237938
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Nametert-butyl N-[2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC1NC1CCc2ccccc2C1
InChIInChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)20-16-11-15(16)19-14-9-8-12-6-4-5-7-13(12)10-14/h4-7,14-16,19H,8-11H2,1-3H3,(H,20,21)
InChIKeyWIQTVIUFFHXOGK-UHFFFAOYSA-N
XLogP2.80
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 129371230
tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate
CID 107849928
tert-butyl N-[4-(2,3-dihydro-1H-inden-2-ylamino)cyclohexyl]carbamate;ethane
CID 91059787
tert-butyl N-[2-[(3-methoxycyclobutyl)amino]cyclopropyl]carbamate
CID 107238333
tert-butyl N-[2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate
CID 107682742
tert-butyl N-[2-[(6-methyl-2,3-dihydro-1H-inden-1-yl)amino]cyclopropyl]carbamate
CID 107237644
tert-butyl N-[2-[(3-methylcyclohexyl)amino]cyclopropyl]carbamate
CID 107238142
tert-butyl N-[2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclopropyl]carbamate
CID 107238283
N-(2,4-dimethylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 63995066
N-(2-tert-butylcyclohexyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43223738
tert-butyl N-(4-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)carbamate
CID 130120349
tert-butyl N-(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 22182075

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)cyclopropyl]carbamate (CID 107237938) is tert-butyl N-[2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1CC1NC1CCc2ccccc2C1.
What is the InChIKey of tert-butyl N-[2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)cyclopropyl]carbamate?
The InChIKey is WIQTVIUFFHXOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-18(2,3)22-17(21)20-16-11-15(16)19-14-9-8-12-6-4-5-7-13(12)10-14/h4-7,14-16,19H,8-11H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)cyclopropyl]carbamate?
tert-butyl N-[2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)cyclopropyl]carbamate has a molecular weight of 302.42 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)cyclopropyl]carbamate is sourced from PubChem (CID 107237938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).