[(1R)-cyclohex-2-en-1-yl] N-(4-aminonon-1-en-3-yl)carbamate

C16H28N2O2 — CID 90182807

IUPAC[(1R)-cyclohex-2-en-1-yl] N-(4-aminonon-1-en-3-yl)carbamate
SMILESC=CC(NC(=O)O[C@H]1C=CCCC1)C(N)CCCCC
InChIInChI=1S/C16H28N2O2/c1-3-5-7-12-14(17)15(4-2)18-16(19)20-13-10-8-6-9-11-13/h4,8,10,13-15H,2-3,5-7,9,11-12,17H2,1H3,(H,18,19)/t13-,14?,15?/m0/s1
InChIKeyYRADVXCWJSMUOZ-NFOMZHRRSA-N
MW280.41 g/mol
LogP3.28
Rot. Bonds8

About [(1R)-cyclohex-2-en-1-yl] N-(4-aminonon-1-en-3-yl)carbamate

[(1R)-cyclohex-2-en-1-yl] N-(4-aminonon-1-en-3-yl)carbamate (PubChem CID 90182807) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is [(1R)-cyclohex-2-en-1-yl] N-(4-aminonon-1-en-3-yl)carbamate.

Molecular Properties

Compound Name[(1R)-cyclohex-2-en-1-yl] N-(4-aminonon-1-en-3-yl)carbamate
PubChem CID90182807
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name[(1R)-cyclohex-2-en-1-yl] N-(4-aminonon-1-en-3-yl)carbamate
SMILESC=CC(NC(=O)O[C@H]1C=CCCC1)C(N)CCCCC
InChIInChI=1S/C16H28N2O2/c1-3-5-7-12-14(17)15(4-2)18-16(19)20-13-10-8-6-9-11-13/h4,8,10,13-15H,2-3,5-7,9,11-12,17H2,1H3,(H,18,19)/t13-,14?,15?/m0/s1
InChIKeyYRADVXCWJSMUOZ-NFOMZHRRSA-N
XLogP3.28
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R)-cyclohex-2-en-1-yl] N-(4-aminonon-1-en-3-yl)carbamate?
The IUPAC name of [(1R)-cyclohex-2-en-1-yl] N-(4-aminonon-1-en-3-yl)carbamate (CID 90182807) is [(1R)-cyclohex-2-en-1-yl] N-(4-aminonon-1-en-3-yl)carbamate.
What is the SMILES notation for [(1R)-cyclohex-2-en-1-yl] N-(4-aminonon-1-en-3-yl)carbamate?
The canonical SMILES for [(1R)-cyclohex-2-en-1-yl] N-(4-aminonon-1-en-3-yl)carbamate is C=CC(NC(=O)O[C@H]1C=CCCC1)C(N)CCCCC.
What is the InChIKey of [(1R)-cyclohex-2-en-1-yl] N-(4-aminonon-1-en-3-yl)carbamate?
The InChIKey is YRADVXCWJSMUOZ-NFOMZHRRSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-5-7-12-14(17)15(4-2)18-16(19)20-13-10-8-6-9-11-13/h4,8,10,13-15H,2-3,5-7,9,11-12,17H2,1H3,(H,18,19)/t13-,14?,15?/m0/s1.
What are the key properties of [(1R)-cyclohex-2-en-1-yl] N-(4-aminonon-1-en-3-yl)carbamate?
[(1R)-cyclohex-2-en-1-yl] N-(4-aminonon-1-en-3-yl)carbamate has a molecular weight of 280.41 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-cyclohex-2-en-1-yl] N-(4-aminonon-1-en-3-yl)carbamate is sourced from PubChem (CID 90182807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).