tert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate

C16H32N2O2 — CID 115071731

IUPACtert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate
SMILESCNCCCCC1(NC(=O)OC(C)(C)C)CCCCC1
InChIInChI=1S/C16H32N2O2/c1-15(2,3)20-14(19)18-16(10-6-5-7-11-16)12-8-9-13-17-4/h17H,5-13H2,1-4H3,(H,18,19)
InChIKeyYIZUGAJSDCHWML-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.60
Rot. Bonds6

About tert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate

tert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate (PubChem CID 115071731) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate
PubChem CID115071731
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate
SMILESCNCCCCC1(NC(=O)OC(C)(C)C)CCCCC1
InChIInChI=1S/C16H32N2O2/c1-15(2,3)20-14(19)18-16(10-6-5-7-11-16)12-8-9-13-17-4/h17H,5-13H2,1-4H3,(H,18,19)
InChIKeyYIZUGAJSDCHWML-UHFFFAOYSA-N
XLogP3.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.60
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 N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate
CID 115071660
tert-butyl N-[1-(3-hydroxypropyl)cyclohexyl]carbamate
CID 99988243
tert-butyl N-[1-(5-oxoheptyl)cyclohexyl]carbamate
CID 174894028
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]propanoic acid
CID 56990247
tert-butyl N-[1-(3-aminobutyl)cyclohexyl]carbamate
CID 115071728
tert-butyl N-[1-(methylaminomethyl)cyclopropyl]carbamate
CID 10798106
tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate
CID 91758204
2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]butanoic acid
CID 146204300
tert-butyl N-(3-ethylpiperidin-3-yl)carbamate
CID 84726051
tert-butyl N-[1-[(3-hydroxypropylamino)methyl]cyclobutyl]carbamate
CID 169182679
10-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]decanoic acid
CID 151766900
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate (CID 115071731) is tert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate is CNCCCCC1(NC(=O)OC(C)(C)C)CCCCC1.
What is the InChIKey of tert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate?
The InChIKey is YIZUGAJSDCHWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-15(2,3)20-14(19)18-16(10-6-5-7-11-16)12-8-9-13-17-4/h17H,5-13H2,1-4H3,(H,18,19).
What are the key properties of tert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate?
tert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate has a molecular weight of 284.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(methylamino)butyl]cyclohexyl]carbamate is sourced from PubChem (CID 115071731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).