tert-butyl N-[[4-[[(3-hydroxycyclobutyl)methyl-methylamino]methyl]cyclohexyl]methyl]carbamate

C19H36N2O3 — CID 122141643

IUPACtert-butyl N-[[4-[[(3-hydroxycyclobutyl)methyl-methylamino]methyl]cyclohexyl]methyl]carbamate
SMILESCN(CC1CCC(CNC(=O)OC(C)(C)C)CC1)CC1CC(O)C1
InChIInChI=1S/C19H36N2O3/c1-19(2,3)24-18(23)20-11-14-5-7-15(8-6-14)12-21(4)13-16-9-17(22)10-16/h14-17,22H,5-13H2,1-4H3,(H,20,23)
InChIKeyDJAHGIDVBGKJMM-UHFFFAOYSA-N
MW340.51 g/mol
LogP3.02
Rot. Bonds6

About tert-butyl N-[[4-[[(3-hydroxycyclobutyl)methyl-methylamino]methyl]cyclohexyl]methyl]carbamate

tert-butyl N-[[4-[[(3-hydroxycyclobutyl)methyl-methylamino]methyl]cyclohexyl]methyl]carbamate (PubChem CID 122141643) has the molecular formula C19H36N2O3 and a molecular weight of 340.51 g/mol. Its IUPAC name is tert-butyl N-[[4-[[(3-hydroxycyclobutyl)methyl-methylamino]methyl]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[[(3-hydroxycyclobutyl)methyl-methylamino]methyl]cyclohexyl]methyl]carbamate
PubChem CID122141643
Molecular FormulaC19H36N2O3
Molecular Weight340.51 g/mol
Exact Mass340.27
IUPAC Nametert-butyl N-[[4-[[(3-hydroxycyclobutyl)methyl-methylamino]methyl]cyclohexyl]methyl]carbamate
SMILESCN(CC1CCC(CNC(=O)OC(C)(C)C)CC1)CC1CC(O)C1
InChIInChI=1S/C19H36N2O3/c1-19(2,3)24-18(23)20-11-14-5-7-15(8-6-14)12-21(4)13-16-9-17(22)10-16/h14-17,22H,5-13H2,1-4H3,(H,20,23)
InChIKeyDJAHGIDVBGKJMM-UHFFFAOYSA-N
XLogP3.02
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[4-[[(3-hydroxycyclobutyl)methyl-methylamino]methyl]cyclohexyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
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tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
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tert-butyl N-[(4-ethynylcyclohexyl)methyl]carbamate
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tert-butyl N-[[4-(1-hydroxyethyl)cyclohexyl]methyl]carbamate
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CID 103279767
tert-butyl N-[(3-aminooxycyclobutyl)methyl]carbamate
CID 22408679
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943
tert-butyl N-[[(1R,3S)-3-methylcyclohexyl]methyl]carbamate
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tert-butyl N-[[4-(2-aminoacetyl)cyclohexyl]methyl]carbamate
CID 82379242
tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate
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tert-butyl N-[(4-hydroxy-4-methylcyclohexyl)methyl]carbamate
CID 86647903

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[[(3-hydroxycyclobutyl)methyl-methylamino]methyl]cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[[(3-hydroxycyclobutyl)methyl-methylamino]methyl]cyclohexyl]methyl]carbamate (CID 122141643) is tert-butyl N-[[4-[[(3-hydroxycyclobutyl)methyl-methylamino]methyl]cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[[(3-hydroxycyclobutyl)methyl-methylamino]methyl]cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[[(3-hydroxycyclobutyl)methyl-methylamino]methyl]cyclohexyl]methyl]carbamate is CN(CC1CCC(CNC(=O)OC(C)(C)C)CC1)CC1CC(O)C1.
What is the InChIKey of tert-butyl N-[[4-[[(3-hydroxycyclobutyl)methyl-methylamino]methyl]cyclohexyl]methyl]carbamate?
The InChIKey is DJAHGIDVBGKJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O3/c1-19(2,3)24-18(23)20-11-14-5-7-15(8-6-14)12-21(4)13-16-9-17(22)10-16/h14-17,22H,5-13H2,1-4H3,(H,20,23).
What are the key properties of tert-butyl N-[[4-[[(3-hydroxycyclobutyl)methyl-methylamino]methyl]cyclohexyl]methyl]carbamate?
tert-butyl N-[[4-[[(3-hydroxycyclobutyl)methyl-methylamino]methyl]cyclohexyl]methyl]carbamate has a molecular weight of 340.51 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[[(3-hydroxycyclobutyl)methyl-methylamino]methyl]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 122141643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).