tert-butyl N-[1-(3-aminobutyl)cyclohexyl]carbamate

C15H30N2O2 — CID 115071728

IUPACtert-butyl N-[1-(3-aminobutyl)cyclohexyl]carbamate
SMILESCC(N)CCC1(NC(=O)OC(C)(C)C)CCCCC1
InChIInChI=1S/C15H30N2O2/c1-12(16)8-11-15(9-6-5-7-10-15)17-13(18)19-14(2,3)4/h12H,5-11,16H2,1-4H3,(H,17,18)
InChIKeyINEFFPWSAQLJDA-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.34
Rot. Bonds4

About tert-butyl N-[1-(3-aminobutyl)cyclohexyl]carbamate

tert-butyl N-[1-(3-aminobutyl)cyclohexyl]carbamate (PubChem CID 115071728) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl N-[1-(3-aminobutyl)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-aminobutyl)cyclohexyl]carbamate
PubChem CID115071728
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl N-[1-(3-aminobutyl)cyclohexyl]carbamate
SMILESCC(N)CCC1(NC(=O)OC(C)(C)C)CCCCC1
InChIInChI=1S/C15H30N2O2/c1-12(16)8-11-15(9-6-5-7-10-15)17-13(18)19-14(2,3)4/h12H,5-11,16H2,1-4H3,(H,17,18)
InChIKeyINEFFPWSAQLJDA-UHFFFAOYSA-N
XLogP3.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-aminobutyl)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-aminobutyl)cyclohexyl]carbamate (CID 115071728) is tert-butyl N-[1-(3-aminobutyl)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-aminobutyl)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-aminobutyl)cyclohexyl]carbamate is CC(N)CCC1(NC(=O)OC(C)(C)C)CCCCC1.
What is the InChIKey of tert-butyl N-[1-(3-aminobutyl)cyclohexyl]carbamate?
The InChIKey is INEFFPWSAQLJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(16)8-11-15(9-6-5-7-10-15)17-13(18)19-14(2,3)4/h12H,5-11,16H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[1-(3-aminobutyl)cyclohexyl]carbamate?
tert-butyl N-[1-(3-aminobutyl)cyclohexyl]carbamate has a molecular weight of 270.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-aminobutyl)cyclohexyl]carbamate is sourced from PubChem (CID 115071728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).