tert-butyl N-[2-[(2-methylcyclohexyl)methylamino]ethyl]carbamate

C15H30N2O2 — CID 112688812

IUPACtert-butyl N-[2-[(2-methylcyclohexyl)methylamino]ethyl]carbamate
SMILESCC1CCCCC1CNCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-12-7-5-6-8-13(12)11-16-9-10-17-14(18)19-15(2,3)4/h12-13,16H,5-11H2,1-4H3,(H,17,18)
InChIKeyABGDWSHEGPKKMJ-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.93
Rot. Bonds5

About tert-butyl N-[2-[(2-methylcyclohexyl)methylamino]ethyl]carbamate

tert-butyl N-[2-[(2-methylcyclohexyl)methylamino]ethyl]carbamate (PubChem CID 112688812) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-methylcyclohexyl)methylamino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-methylcyclohexyl)methylamino]ethyl]carbamate
PubChem CID112688812
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl N-[2-[(2-methylcyclohexyl)methylamino]ethyl]carbamate
SMILESCC1CCCCC1CNCCNC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-12-7-5-6-8-13(12)11-16-9-10-17-14(18)19-15(2,3)4/h12-13,16H,5-11H2,1-4H3,(H,17,18)
InChIKeyABGDWSHEGPKKMJ-UHFFFAOYSA-N
XLogP2.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 3-[(2-methylcyclopentyl)methylamino]propanoate
CID 107419495
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tert-butyl N-[2-(oxolan-3-ylmethylamino)ethyl]carbamate
CID 115607413
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
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tert-butyl N-[2-[(2-methylcyclohexyl)carbamothioylamino]ethyl]carbamate
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tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[3-[(2-methylcyclopentyl)methylamino]cyclobutyl]carbamate
CID 107417431
tert-butyl N-[[2-(cycloheptylmethylamino)cyclopentyl]methyl]carbamate
CID 107251493
tert-butyl N-[[2-[(2-methylcyclopropyl)methylamino]cyclopentyl]methyl]carbamate
CID 115970935
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[(2-bromocyclopentyl)methyl]carbamate
CID 114313805
tert-butyl N-[2-[[(2R)-2-methylpiperidine-1-carbonyl]amino]ethyl]carbamate
CID 95321341

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-methylcyclohexyl)methylamino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-methylcyclohexyl)methylamino]ethyl]carbamate (CID 112688812) is tert-butyl N-[2-[(2-methylcyclohexyl)methylamino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-methylcyclohexyl)methylamino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-methylcyclohexyl)methylamino]ethyl]carbamate is CC1CCCCC1CNCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[(2-methylcyclohexyl)methylamino]ethyl]carbamate?
The InChIKey is ABGDWSHEGPKKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12-7-5-6-8-13(12)11-16-9-10-17-14(18)19-15(2,3)4/h12-13,16H,5-11H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl N-[2-[(2-methylcyclohexyl)methylamino]ethyl]carbamate?
tert-butyl N-[2-[(2-methylcyclohexyl)methylamino]ethyl]carbamate has a molecular weight of 270.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-methylcyclohexyl)methylamino]ethyl]carbamate is sourced from PubChem (CID 112688812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).