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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Related Compounds

2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]butanoic acid
CID 146204300
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
CID 56990247
tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate
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tert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate
CID 115071731
tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771
tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
CID 25220860
tert-butyl N-[1-(5-oxoheptyl)cyclohexyl]carbamate
CID 174894028
tert-butyl N-[1-[(2-methylsulfanylpropanoylamino)methyl]cycloheptyl]carbamate
CID 60545414
tert-butyl N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate
CID 115071660
tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate
CID 91758204
tert-butyl N-[1-[(pentan-2-ylamino)methyl]cyclobutyl]carbamate
CID 104530761
tert-butyl N-[1-[(prop-2-enoylamino)methyl]cyclohexyl]carbamate
CID 139520312

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).