N-cyclohexylcyclohexanamine;5-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid

C26H48N2O4 — CID 68733771

IUPACN-cyclohexylcyclohexanamine;5-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid
SMILESC1CCC(NC2CCCCC2)CC1.C=CCCC(CCCC(=O)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4.C12H23N/c1-5-6-8-11(9-7-10-12(16)17)15-13(18)19-14(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5,11H,1,6-10H2,2-4H3,(H,15,18)(H,16,17);11-13H,1-10H2
InChIKeyDNPKHVDWJJGSJV-UHFFFAOYSA-N
MW452.68 g/mol
LogP6.34
Rot. Bonds10

About N-cyclohexylcyclohexanamine;5-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid

N-cyclohexylcyclohexanamine;5-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid (PubChem CID 68733771) has the molecular formula C26H48N2O4 and a molecular weight of 452.68 g/mol. Its IUPAC name is N-cyclohexylcyclohexanamine;5-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid.

Molecular Properties

Compound NameN-cyclohexylcyclohexanamine;5-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid
PubChem CID68733771
Molecular FormulaC26H48N2O4
Molecular Weight452.68 g/mol
Exact Mass452.36
IUPAC NameN-cyclohexylcyclohexanamine;5-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid
SMILESC1CCC(NC2CCCCC2)CC1.C=CCCC(CCCC(=O)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4.C12H23N/c1-5-6-8-11(9-7-10-12(16)17)15-13(18)19-14(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5,11H,1,6-10H2,2-4H3,(H,15,18)(H,16,17);11-13H,1-10H2
InChIKeyDNPKHVDWJJGSJV-UHFFFAOYSA-N
XLogP6.34
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.68
LogP ≤ 56.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexylcyclohexanamine;4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 131863507
N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2828510
N-cyclohexylcyclohexanamine;(2R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(prop-2-enoxycarbonylamino)pentanoic acid
CID 86810450
N-cyclohexylcyclohexanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid
CID 138109289
N-cyclohexylcyclohexanamine;3-cyclopropyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 53398052
N-cyclohexylcyclohexanamine;2-cyclopentyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 66756723
(3R)-4-cyclohexyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 20814414
(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;N-cyclohexylcyclohexanamine
CID 12017189
N-cyclohexylcyclohexanamine;(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(prop-2-enoxycarbonylamino)butanoic acid
CID 139209028
N-cyclohexylcyclohexanamine;(2R)-5-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 122173545
(4R)-5-[cyclohexyl(cyclohexylcarbamoyl)amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
CID 59149356
5-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 174389301

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylcyclohexanamine;5-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid?
The IUPAC name of N-cyclohexylcyclohexanamine;5-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid (CID 68733771) is N-cyclohexylcyclohexanamine;5-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid.
What is the SMILES notation for N-cyclohexylcyclohexanamine;5-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid?
The canonical SMILES for N-cyclohexylcyclohexanamine;5-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid is C1CCC(NC2CCCCC2)CC1.C=CCCC(CCCC(=O)O)NC(=O)OC(C)(C)C.
What is the InChIKey of N-cyclohexylcyclohexanamine;5-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid?
The InChIKey is DNPKHVDWJJGSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4.C12H23N/c1-5-6-8-11(9-7-10-12(16)17)15-13(18)19-14(2,3)4;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h5,11H,1,6-10H2,2-4H3,(H,15,18)(H,16,17);11-13H,1-10H2.
What are the key properties of N-cyclohexylcyclohexanamine;5-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid?
N-cyclohexylcyclohexanamine;5-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid has a molecular weight of 452.68 g/mol, XLogP of 6.34, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylcyclohexanamine;5-[(2-methylpropan-2-yl)oxycarbonylamino]non-8-enoic acid is sourced from PubChem (CID 68733771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).