N-tert-butyl-N-[(1R,2Z,4R)-4-[(1R,2Z,4R)-4-(ditert-butylamino)oxycyclooct-2-en-1-yl]cyclooct-2-en-1-yl]oxy-2-methylpropan-2-amine

C32H60N2O2 — CID 11060233

IUPACN-tert-butyl-N-[(1R,2Z,4R)-4-[(1R,2Z,4R)-4-(ditert-butylamino)oxycyclooct-2-en-1-yl]cyclooct-2-en-1-yl]oxy-2-methylpropan-2-amine
SMILESCC(C)(C)N(O[C@H]1/C=C\[C@H]([C@H]2/C=C\[C@H](ON(C(C)(C)C)C(C)(C)C)CCCC2)CCCC1)C(C)(C)C
InChIInChI=1S/C32H60N2O2/c1-29(2,3)33(30(4,5)6)35-27-19-15-13-17-25(21-23-27)26-18-14-16-20-28(24-22-26)36-34(31(7,8)9)32(10,11)12/h21-28H,13-20H2,1-12H3/b23-21-,24-22-/t25-,26-,27-,28-/m1/s1
InChIKeyGFGULJIAPGTSOI-KGHCNLCVSA-N
MW504.84 g/mol
LogP8.88
Rot. Bonds5

About N-tert-butyl-N-[(1R,2Z,4R)-4-[(1R,2Z,4R)-4-(ditert-butylamino)oxycyclooct-2-en-1-yl]cyclooct-2-en-1-yl]oxy-2-methylpropan-2-amine

N-tert-butyl-N-[(1R,2Z,4R)-4-[(1R,2Z,4R)-4-(ditert-butylamino)oxycyclooct-2-en-1-yl]cyclooct-2-en-1-yl]oxy-2-methylpropan-2-amine (PubChem CID 11060233) has the molecular formula C32H60N2O2 and a molecular weight of 504.84 g/mol. Its IUPAC name is N-tert-butyl-N-[(1R,2Z,4R)-4-[(1R,2Z,4R)-4-(ditert-butylamino)oxycyclooct-2-en-1-yl]cyclooct-2-en-1-yl]oxy-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-N-[(1R,2Z,4R)-4-[(1R,2Z,4R)-4-(ditert-butylamino)oxycyclooct-2-en-1-yl]cyclooct-2-en-1-yl]oxy-2-methylpropan-2-amine
PubChem CID11060233
Molecular FormulaC32H60N2O2
Molecular Weight504.84 g/mol
Exact Mass504.47
IUPAC NameN-tert-butyl-N-[(1R,2Z,4R)-4-[(1R,2Z,4R)-4-(ditert-butylamino)oxycyclooct-2-en-1-yl]cyclooct-2-en-1-yl]oxy-2-methylpropan-2-amine
SMILESCC(C)(C)N(O[C@H]1/C=C\[C@H]([C@H]2/C=C\[C@H](ON(C(C)(C)C)C(C)(C)C)CCCC2)CCCC1)C(C)(C)C
InChIInChI=1S/C32H60N2O2/c1-29(2,3)33(30(4,5)6)35-27-19-15-13-17-25(21-23-27)26-18-14-16-20-28(24-22-26)36-34(31(7,8)9)32(10,11)12/h21-28H,13-20H2,1-12H3/b23-21-,24-22-/t25-,26-,27-,28-/m1/s1
InChIKeyGFGULJIAPGTSOI-KGHCNLCVSA-N
XLogP8.88
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.84
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-tert-butyl-N-[(1R,2Z,4R)-4-[(1R,2Z,4R)-4-(ditert-butylamino)oxycyclooct-2-en-1-yl]cyclooct-2-en-1-yl]oxy-2-methylpropan-2-amine with MolForge

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Related Compounds

1,2,3,4,4a,8a-hexahydronaphthalene;methanamine
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CID 154082194
7-bicyclo[2.2.1]hept-2-enyloxy-tert-butyl-dimethylsilane
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(3R,7S)-3,7-diethoxycycloheptene
CID 13244919
tert-butyl [(2E)-4-hydroxycyclooct-2-en-1-yl] carbonate
CID 118458845
[(2E)-4-[(2-methylpropan-2-yl)oxy]cyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 118458844
3-(2-cyclohex-2-en-1-yloxypropan-2-yloxy)cyclohexene
CID 141430712
2,3,3a,7a-tetrahydro-1H-indene;dichlorotitanium;(tritert-butyl-λ5-phosphanylidene)azanide
CID 23232464
2,3,3a,7a-tetrahydro-1H-indene
CID 12652500
tert-butyl-[(2Z)-cyclooct-2-en-1-yl]oxy-dimethylsilane
CID 12568500
tert-butyl-cyclodec-2-en-1-yloxy-dimethylsilane
CID 68820963
2,3,3a,7a-tetrahydro-1H-indene;tris(2,2-dimethylpropanoic acid);zirconium
CID 23231710

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[(1R,2Z,4R)-4-[(1R,2Z,4R)-4-(ditert-butylamino)oxycyclooct-2-en-1-yl]cyclooct-2-en-1-yl]oxy-2-methylpropan-2-amine?
The IUPAC name of N-tert-butyl-N-[(1R,2Z,4R)-4-[(1R,2Z,4R)-4-(ditert-butylamino)oxycyclooct-2-en-1-yl]cyclooct-2-en-1-yl]oxy-2-methylpropan-2-amine (CID 11060233) is N-tert-butyl-N-[(1R,2Z,4R)-4-[(1R,2Z,4R)-4-(ditert-butylamino)oxycyclooct-2-en-1-yl]cyclooct-2-en-1-yl]oxy-2-methylpropan-2-amine.
What is the SMILES notation for N-tert-butyl-N-[(1R,2Z,4R)-4-[(1R,2Z,4R)-4-(ditert-butylamino)oxycyclooct-2-en-1-yl]cyclooct-2-en-1-yl]oxy-2-methylpropan-2-amine?
The canonical SMILES for N-tert-butyl-N-[(1R,2Z,4R)-4-[(1R,2Z,4R)-4-(ditert-butylamino)oxycyclooct-2-en-1-yl]cyclooct-2-en-1-yl]oxy-2-methylpropan-2-amine is CC(C)(C)N(O[C@H]1/C=C\[C@H]([C@H]2/C=C\[C@H](ON(C(C)(C)C)C(C)(C)C)CCCC2)CCCC1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[(1R,2Z,4R)-4-[(1R,2Z,4R)-4-(ditert-butylamino)oxycyclooct-2-en-1-yl]cyclooct-2-en-1-yl]oxy-2-methylpropan-2-amine?
The InChIKey is GFGULJIAPGTSOI-KGHCNLCVSA-N. The full InChI is InChI=1S/C32H60N2O2/c1-29(2,3)33(30(4,5)6)35-27-19-15-13-17-25(21-23-27)26-18-14-16-20-28(24-22-26)36-34(31(7,8)9)32(10,11)12/h21-28H,13-20H2,1-12H3/b23-21-,24-22-/t25-,26-,27-,28-/m1/s1.
What are the key properties of N-tert-butyl-N-[(1R,2Z,4R)-4-[(1R,2Z,4R)-4-(ditert-butylamino)oxycyclooct-2-en-1-yl]cyclooct-2-en-1-yl]oxy-2-methylpropan-2-amine?
N-tert-butyl-N-[(1R,2Z,4R)-4-[(1R,2Z,4R)-4-(ditert-butylamino)oxycyclooct-2-en-1-yl]cyclooct-2-en-1-yl]oxy-2-methylpropan-2-amine has a molecular weight of 504.84 g/mol, XLogP of 8.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[(1R,2Z,4R)-4-[(1R,2Z,4R)-4-(ditert-butylamino)oxycyclooct-2-en-1-yl]cyclooct-2-en-1-yl]oxy-2-methylpropan-2-amine is sourced from PubChem (CID 11060233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).