tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate

C15H28N2O2 — CID 166867024

IUPACtert-butyl N-(1-cyclopropylazocan-5-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(C2CC2)CCC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)16-12-6-4-10-17(11-5-7-12)13-8-9-13/h12-13H,4-11H2,1-3H3,(H,16,18)
InChIKeyVZEVVCMNAUOXJU-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.92
Rot. Bonds2

About tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate

tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate (PubChem CID 166867024) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-cyclopropylazocan-5-yl)carbamate
PubChem CID166867024
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nametert-butyl N-(1-cyclopropylazocan-5-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCN(C2CC2)CCC1
InChIInChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)16-12-6-4-10-17(11-5-7-12)13-8-9-13/h12-13H,4-11H2,1-3H3,(H,16,18)
InChIKeyVZEVVCMNAUOXJU-UHFFFAOYSA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate
CID 95912362
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tert-butyl N-[(3R)-1-(4-hydroxycyclohexyl)piperidin-3-yl]carbamate
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tert-butyl N-[(3S)-1-piperidin-4-ylpiperidin-3-yl]carbamate
CID 124909009
methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]piperazine-1-carboxylate
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tert-butyl N-[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]carbamate
CID 139430473
tert-butyl N-[1-(4-ethoxycyclohexyl)piperidin-4-yl]carbamate
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tert-butyl N-(1-acetylazepan-4-yl)carbamate
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tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate
CID 68513412
tert-butyl N-[(1S)-3-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]carbamate
CID 70920720
tert-butyl N-[4-[4-(methoxymethylidene)piperidin-1-yl]cyclohexyl]carbamate
CID 178015378
tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)piperidin-4-yl]carbamate
CID 91018778

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate?
The IUPAC name of tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate (CID 166867024) is tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate is CC(C)(C)OC(=O)NC1CCCN(C2CC2)CCC1.
What is the InChIKey of tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate?
The InChIKey is VZEVVCMNAUOXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-15(2,3)19-14(18)16-12-6-4-10-17(11-5-7-12)13-8-9-13/h12-13H,4-11H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate?
tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate has a molecular weight of 268.40 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate is sourced from PubChem (CID 166867024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).