tert-butyl N-[2-[2-(4-methylcyclohexyl)ethylamino]propyl]carbamate

C17H34N2O2 — CID 103390031

IUPACtert-butyl N-[2-[2-(4-methylcyclohexyl)ethylamino]propyl]carbamate
SMILESCC1CCC(CCNC(C)CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H34N2O2/c1-13-6-8-15(9-7-13)10-11-18-14(2)12-19-16(20)21-17(3,4)5/h13-15,18H,6-12H2,1-5H3,(H,19,20)
InChIKeyXWAKSNRXZRXCPA-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.71
Rot. Bonds6

About tert-butyl N-[2-[2-(4-methylcyclohexyl)ethylamino]propyl]carbamate

tert-butyl N-[2-[2-(4-methylcyclohexyl)ethylamino]propyl]carbamate (PubChem CID 103390031) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(4-methylcyclohexyl)ethylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(4-methylcyclohexyl)ethylamino]propyl]carbamate
PubChem CID103390031
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Nametert-butyl N-[2-[2-(4-methylcyclohexyl)ethylamino]propyl]carbamate
SMILESCC1CCC(CCNC(C)CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H34N2O2/c1-13-6-8-15(9-7-13)10-11-18-14(2)12-19-16(20)21-17(3,4)5/h13-15,18H,6-12H2,1-5H3,(H,19,20)
InChIKeyXWAKSNRXZRXCPA-UHFFFAOYSA-N
XLogP3.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[3-(cyclopropylmethoxy)propylamino]propyl]carbamate
CID 103387621
tert-butyl N-[2-(cyclopentylmethylamino)propyl]carbamate
CID 103387805
tert-butyl N-[2-[(4-methylcyclohexyl)methylamino]butyl]carbamate
CID 107250880
tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]propyl]carbamate
CID 107248380
tert-butyl N-[2-[[3-(cyclopropylamino)-3-oxopropyl]amino]propyl]carbamate
CID 103390326
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-(5-cyclopropyl-2-methyl-3-oxopentyl)carbamate
CID 165470885
tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
CID 103386968
tert-butyl N-[2-(2-cyclohexyloxyethylamino)propyl]carbamate
CID 103389977
tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate
CID 103389896
tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]propyl]carbamate
CID 107248139
tert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate
CID 103390998

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(4-methylcyclohexyl)ethylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(4-methylcyclohexyl)ethylamino]propyl]carbamate (CID 103390031) is tert-butyl N-[2-[2-(4-methylcyclohexyl)ethylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(4-methylcyclohexyl)ethylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(4-methylcyclohexyl)ethylamino]propyl]carbamate is CC1CCC(CCNC(C)CNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[2-[2-(4-methylcyclohexyl)ethylamino]propyl]carbamate?
The InChIKey is XWAKSNRXZRXCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-13-6-8-15(9-7-13)10-11-18-14(2)12-19-16(20)21-17(3,4)5/h13-15,18H,6-12H2,1-5H3,(H,19,20).
What are the key properties of tert-butyl N-[2-[2-(4-methylcyclohexyl)ethylamino]propyl]carbamate?
tert-butyl N-[2-[2-(4-methylcyclohexyl)ethylamino]propyl]carbamate has a molecular weight of 298.47 g/mol, XLogP of 3.71, 6 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-(4-methylcyclohexyl)ethylamino]propyl]carbamate is sourced from PubChem (CID 103390031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).