tert-butyl N-[2-(cycloheptylmethylamino)-3-methylbutyl]carbamate

C18H36N2O2 — CID 107254308

IUPACtert-butyl N-[2-(cycloheptylmethylamino)-3-methylbutyl]carbamate
SMILESCC(C)C(CNC(=O)OC(C)(C)C)NCC1CCCCCC1
InChIInChI=1S/C18H36N2O2/c1-14(2)16(13-20-17(21)22-18(3,4)5)19-12-15-10-8-6-7-9-11-15/h14-16,19H,6-13H2,1-5H3,(H,20,21)
InChIKeyMFARGXLNVDRZFD-UHFFFAOYSA-N
MW312.50 g/mol
LogP4.10
Rot. Bonds6

About tert-butyl N-[2-(cycloheptylmethylamino)-3-methylbutyl]carbamate

tert-butyl N-[2-(cycloheptylmethylamino)-3-methylbutyl]carbamate (PubChem CID 107254308) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is tert-butyl N-[2-(cycloheptylmethylamino)-3-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(cycloheptylmethylamino)-3-methylbutyl]carbamate
PubChem CID107254308
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Nametert-butyl N-[2-(cycloheptylmethylamino)-3-methylbutyl]carbamate
SMILESCC(C)C(CNC(=O)OC(C)(C)C)NCC1CCCCCC1
InChIInChI=1S/C18H36N2O2/c1-14(2)16(13-20-17(21)22-18(3,4)5)19-12-15-10-8-6-7-9-11-15/h14-16,19H,6-13H2,1-5H3,(H,20,21)
InChIKeyMFARGXLNVDRZFD-UHFFFAOYSA-N
XLogP4.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
CID 103387805
tert-butyl N-[2-(cyclohexylmethylamino)butyl]carbamate
CID 107250927
tert-butyl N-[3-methyl-2-(propylamino)butyl]carbamate
CID 107254098
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943
tert-butyl N-[2-(2,2-dimethoxyethylamino)-3-methylbutyl]carbamate
CID 107254177
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[2-(cyclohexylmethyl)-3-oxopropyl]carbamate
CID 84730029
tert-butyl N-(2-amino-3-cyclopentylpropyl)carbamate
CID 84728252
tert-butyl N-[2-(cycloheptylamino)propyl]carbamate
CID 103387396
tert-butyl N-[2-[(cyclooctylamino)methyl]-3-methylbutyl]carbamate
CID 107440994
tert-butyl N-[2-[(2,3-dimethylcyclohexyl)amino]-3-methylbutyl]carbamate
CID 107254193
tert-butyl N-[2-cyclohexyl-2-(3-methylbutan-2-ylamino)ethyl]carbamate
CID 107252527

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(cycloheptylmethylamino)-3-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[2-(cycloheptylmethylamino)-3-methylbutyl]carbamate (CID 107254308) is tert-butyl N-[2-(cycloheptylmethylamino)-3-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(cycloheptylmethylamino)-3-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(cycloheptylmethylamino)-3-methylbutyl]carbamate is CC(C)C(CNC(=O)OC(C)(C)C)NCC1CCCCCC1.
What is the InChIKey of tert-butyl N-[2-(cycloheptylmethylamino)-3-methylbutyl]carbamate?
The InChIKey is MFARGXLNVDRZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-14(2)16(13-20-17(21)22-18(3,4)5)19-12-15-10-8-6-7-9-11-15/h14-16,19H,6-13H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[2-(cycloheptylmethylamino)-3-methylbutyl]carbamate?
tert-butyl N-[2-(cycloheptylmethylamino)-3-methylbutyl]carbamate has a molecular weight of 312.50 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(cycloheptylmethylamino)-3-methylbutyl]carbamate is sourced from PubChem (CID 107254308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).