tert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate

C13H26N2O3 — CID 169182679

IUPACtert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CNCCCO)CCC1
InChIInChI=1S/C13H26N2O3/c1-12(2,3)18-11(17)15-13(6-4-7-13)10-14-8-5-9-16/h14,16H,4-10H2,1-3H3,(H,15,17)
InChIKeyZFPKCVYANHFNJC-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.41
Rot. Bonds6

About tert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate

tert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate (PubChem CID 169182679) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is tert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate
PubChem CID169182679
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Nametert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(CNCCCO)CCC1
InChIInChI=1S/C13H26N2O3/c1-12(2,3)18-11(17)15-13(6-4-7-13)10-14-8-5-9-16/h14,16H,4-10H2,1-3H3,(H,15,17)
InChIKeyZFPKCVYANHFNJC-UHFFFAOYSA-N
XLogP1.41
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[1-[(3-methylsulfanylpropylamino)methyl]cyclobutyl]carbamate
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tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate
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tert-butyl N-[1-[(2-phenylethylamino)methyl]cyclobutyl]carbamate
CID 104872135
tert-butyl N-[1-(methylaminomethyl)cyclopropyl]carbamate
CID 10798106
tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
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tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771
tert-butyl N-[1-[[(3,4-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate
CID 107243328
tert-butyl N-[1-[(hexan-2-ylamino)methyl]cyclobutyl]carbamate
CID 104537426
tert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate
CID 115071731
tert-butyl N-[1-[(pentan-2-ylamino)methyl]cyclobutyl]carbamate
CID 104530761
tert-butyl N-[1-[[(2,6-dimethylphenyl)methylamino]methyl]cyclobutyl]carbamate
CID 107243378
tert-butyl N-[1-[2-(tert-butylamino)-2-oxoethyl]cyclobutyl]carbamate
CID 71982667

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate (CID 169182679) is tert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1(CNCCCO)CCC1.
What is the InChIKey of tert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate?
The InChIKey is ZFPKCVYANHFNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-12(2,3)18-11(17)15-13(6-4-7-13)10-14-8-5-9-16/h14,16H,4-10H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate?
tert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate has a molecular weight of 258.36 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate is sourced from PubChem (CID 169182679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).