bis(cyclohexylamino) 3-methylidenepentanedioate

C18H30N2O4 — CID 154089481

IUPACbis(cyclohexylamino) 3-methylidenepentanedioate
SMILESC=C(CC(=O)ONC1CCCCC1)CC(=O)ONC1CCCCC1
InChIInChI=1S/C18H30N2O4/c1-14(12-17(21)23-19-15-8-4-2-5-9-15)13-18(22)24-20-16-10-6-3-7-11-16/h15-16,19-20H,1-13H2
InChIKeyNAABZPAEGBNJBR-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.08
Rot. Bonds8

About bis(cyclohexylamino) 3-methylidenepentanedioate

bis(cyclohexylamino) 3-methylidenepentanedioate (PubChem CID 154089481) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is bis(cyclohexylamino) 3-methylidenepentanedioate.

Molecular Properties

Compound Namebis(cyclohexylamino) 3-methylidenepentanedioate
PubChem CID154089481
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Namebis(cyclohexylamino) 3-methylidenepentanedioate
SMILESC=C(CC(=O)ONC1CCCCC1)CC(=O)ONC1CCCCC1
InChIInChI=1S/C18H30N2O4/c1-14(12-17(21)23-19-15-8-4-2-5-9-15)13-18(22)24-20-16-10-6-3-7-11-16/h15-16,19-20H,1-13H2
InChIKeyNAABZPAEGBNJBR-UHFFFAOYSA-N
XLogP3.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexylamino)oxy-2-oxoacetic acid
CID 174869598
(cyclopentylamino) pentanoate
CID 175087443
bis(cyclopropylamino) butanedioate
CID 174889367
(cyclopentylamino) hydrogen carbonate
CID 150964345
sodium;(cyclohexylamino) acetate;hydride
CID 174740785
(cyclohexylamino) 2,2-dimethylpropanoate;hydrate
CID 174795169
(cyclohexylamino) 2-methylpent-2-enoate
CID 174632655
(cyclohexylamino) (2E)-7-hydroxyhepta-2,4-dienoate
CID 173360557
2-(cyclopentylamino)oxyacetamide
CID 112639582
prop-2-enyl N-cyclohexylcarbamate
CID 11126927
methyl N-cyclohexadecylcarbamate
CID 131977131
CID 122385782
CID 122385782

Frequently Asked Questions

What is the IUPAC name of bis(cyclohexylamino) 3-methylidenepentanedioate?
The IUPAC name of bis(cyclohexylamino) 3-methylidenepentanedioate (CID 154089481) is bis(cyclohexylamino) 3-methylidenepentanedioate.
What is the SMILES notation for bis(cyclohexylamino) 3-methylidenepentanedioate?
The canonical SMILES for bis(cyclohexylamino) 3-methylidenepentanedioate is C=C(CC(=O)ONC1CCCCC1)CC(=O)ONC1CCCCC1.
What is the InChIKey of bis(cyclohexylamino) 3-methylidenepentanedioate?
The InChIKey is NAABZPAEGBNJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-14(12-17(21)23-19-15-8-4-2-5-9-15)13-18(22)24-20-16-10-6-3-7-11-16/h15-16,19-20H,1-13H2.
What are the key properties of bis(cyclohexylamino) 3-methylidenepentanedioate?
bis(cyclohexylamino) 3-methylidenepentanedioate has a molecular weight of 338.45 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cyclohexylamino) 3-methylidenepentanedioate is sourced from PubChem (CID 154089481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).