6-(5-cyclohexylpentylamino)hexyl prop-2-enoate

C20H37NO2 — CID 70560531

IUPAC6-(5-cyclohexylpentylamino)hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCNCCCCCC1CCCCC1
InChIInChI=1S/C20H37NO2/c1-2-20(22)23-18-12-4-3-10-16-21-17-11-6-9-15-19-13-7-5-8-14-19/h2,19,21H,1,3-18H2
InChIKeyBKMOYUGSUFRBEV-UHFFFAOYSA-N
MW323.52 g/mol
LogP5.01
Rot. Bonds14

About 6-(5-cyclohexylpentylamino)hexyl prop-2-enoate

6-(5-cyclohexylpentylamino)hexyl prop-2-enoate (PubChem CID 70560531) has the molecular formula C20H37NO2 and a molecular weight of 323.52 g/mol. Its IUPAC name is 6-(5-cyclohexylpentylamino)hexyl prop-2-enoate.

Molecular Properties

Compound Name6-(5-cyclohexylpentylamino)hexyl prop-2-enoate
PubChem CID70560531
Molecular FormulaC20H37NO2
Molecular Weight323.52 g/mol
Exact Mass323.28
IUPAC Name6-(5-cyclohexylpentylamino)hexyl prop-2-enoate
SMILESC=CC(=O)OCCCCCCNCCCCCC1CCCCC1
InChIInChI=1S/C20H37NO2/c1-2-20(22)23-18-12-4-3-10-16-21-17-11-6-9-15-19-13-7-5-8-14-19/h2,19,21H,1,3-18H2
InChIKeyBKMOYUGSUFRBEV-UHFFFAOYSA-N
XLogP5.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.52
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(4-cyclohexylcyclohexyl)propyl prop-2-enoate
CID 70268228
3-[10-(dithiolan-3-yl)decylamino]propyl prop-2-enoate
CID 118143846
cyclohexyl 4-[2-[4-(3-prop-2-enoyloxypropyl)cyclohexyl]ethyl]cyclohexane-1-carboxylate
CID 21461607
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
6-prop-2-enoyloxyhexyl 4-pentylcyclohexane-1-carboxylate
CID 126578276
2-(cyclohexylmethylcarbamoylamino)ethyl prop-2-enoate
CID 146561836
5-prop-2-enoyloxypentyl 2-cyclohexylprop-2-enoate
CID 69230771
N'-(4-cyclopentadecylbutyl)ethane-1,2-diamine
CID 159351931
5-cycloheptylpentyl 2-methylprop-2-enoate
CID 164546531
2-(tridecylamino)ethyl prop-2-enoate
CID 141468520
9-(iodooxycarbonylamino)nonyl prop-2-enoate
CID 154989530

Frequently Asked Questions

What is the IUPAC name of 6-(5-cyclohexylpentylamino)hexyl prop-2-enoate?
The IUPAC name of 6-(5-cyclohexylpentylamino)hexyl prop-2-enoate (CID 70560531) is 6-(5-cyclohexylpentylamino)hexyl prop-2-enoate.
What is the SMILES notation for 6-(5-cyclohexylpentylamino)hexyl prop-2-enoate?
The canonical SMILES for 6-(5-cyclohexylpentylamino)hexyl prop-2-enoate is C=CC(=O)OCCCCCCNCCCCCC1CCCCC1.
What is the InChIKey of 6-(5-cyclohexylpentylamino)hexyl prop-2-enoate?
The InChIKey is BKMOYUGSUFRBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO2/c1-2-20(22)23-18-12-4-3-10-16-21-17-11-6-9-15-19-13-7-5-8-14-19/h2,19,21H,1,3-18H2.
What are the key properties of 6-(5-cyclohexylpentylamino)hexyl prop-2-enoate?
6-(5-cyclohexylpentylamino)hexyl prop-2-enoate has a molecular weight of 323.52 g/mol, XLogP of 5.01, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-cyclohexylpentylamino)hexyl prop-2-enoate is sourced from PubChem (CID 70560531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).