tert-butyl N-[2-[(1-hydroxycyclohexyl)-methylamino]propyl]carbamate

C15H30N2O3 — CID 141142684

IUPACtert-butyl N-[2-[(1-hydroxycyclohexyl)-methylamino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)N(C)C1(O)CCCCC1
InChIInChI=1S/C15H30N2O3/c1-12(11-16-13(18)20-14(2,3)4)17(5)15(19)9-7-6-8-10-15/h12,19H,6-11H2,1-5H3,(H,16,18)
InChIKeyLVOBQGMGBVUWBV-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.48
Rot. Bonds4

About tert-butyl N-[2-[(1-hydroxycyclohexyl)-methylamino]propyl]carbamate

tert-butyl N-[2-[(1-hydroxycyclohexyl)-methylamino]propyl]carbamate (PubChem CID 141142684) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl N-[2-[(1-hydroxycyclohexyl)-methylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(1-hydroxycyclohexyl)-methylamino]propyl]carbamate
PubChem CID141142684
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl N-[2-[(1-hydroxycyclohexyl)-methylamino]propyl]carbamate
SMILESCC(CNC(=O)OC(C)(C)C)N(C)C1(O)CCCCC1
InChIInChI=1S/C15H30N2O3/c1-12(11-16-13(18)20-14(2,3)4)17(5)15(19)9-7-6-8-10-15/h12,19H,6-11H2,1-5H3,(H,16,18)
InChIKeyLVOBQGMGBVUWBV-UHFFFAOYSA-N
XLogP2.48
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate
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CID 59382985
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
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tert-butyl N-[2-(spiro[4.5]decan-8-ylamino)propyl]carbamate
CID 107248525
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[(2S)-2-[(2-bromoacetyl)-cyclopentylamino]propyl]carbamate
CID 129379814
tert-butyl N-[(2S)-2-[methyl-[(4-methylphenyl)carbamoyl]amino]propyl]carbamate
CID 95323148
tert-butyl N-[2-(3-methylpentan-2-ylamino)butyl]carbamate
CID 107251188
tert-butyl N-[(2R)-2-pyrrolidin-1-ylpropyl]carbamate
CID 174442745
tert-butyl N-[[1-(2-ethylbutylamino)cyclopentyl]methyl]carbamate
CID 107251928

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(1-hydroxycyclohexyl)-methylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(1-hydroxycyclohexyl)-methylamino]propyl]carbamate (CID 141142684) is tert-butyl N-[2-[(1-hydroxycyclohexyl)-methylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(1-hydroxycyclohexyl)-methylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(1-hydroxycyclohexyl)-methylamino]propyl]carbamate is CC(CNC(=O)OC(C)(C)C)N(C)C1(O)CCCCC1.
What is the InChIKey of tert-butyl N-[2-[(1-hydroxycyclohexyl)-methylamino]propyl]carbamate?
The InChIKey is LVOBQGMGBVUWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-12(11-16-13(18)20-14(2,3)4)17(5)15(19)9-7-6-8-10-15/h12,19H,6-11H2,1-5H3,(H,16,18).
What are the key properties of tert-butyl N-[2-[(1-hydroxycyclohexyl)-methylamino]propyl]carbamate?
tert-butyl N-[2-[(1-hydroxycyclohexyl)-methylamino]propyl]carbamate has a molecular weight of 286.42 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(1-hydroxycyclohexyl)-methylamino]propyl]carbamate is sourced from PubChem (CID 141142684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).