1-cyclohexyloxy-N-[7-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)heptyl]-2,2,6,6-tetramethylpiperidin-4-amine

C37H71N3O2 — CID 157057576

IUPAC1-cyclohexyloxy-N-[7-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)heptyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCC1(C)CC(CCCCCCCNC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)CC(C)(C)N1OC1CCCCC1
InChIInChI=1S/C37H71N3O2/c1-34(2)26-30(27-35(3,4)39(34)41-32-21-15-12-16-22-32)20-14-10-9-11-19-25-38-31-28-36(5,6)40(37(7,8)29-31)42-33-23-17-13-18-24-33/h30-33,38H,9-29H2,1-8H3
InChIKeyYYUPIRLELBIQDU-UHFFFAOYSA-N
MW589.99 g/mol
LogP9.74
Rot. Bonds13

About 1-cyclohexyloxy-N-[7-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)heptyl]-2,2,6,6-tetramethylpiperidin-4-amine

1-cyclohexyloxy-N-[7-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)heptyl]-2,2,6,6-tetramethylpiperidin-4-amine (PubChem CID 157057576) has the molecular formula C37H71N3O2 and a molecular weight of 589.99 g/mol. Its IUPAC name is 1-cyclohexyloxy-N-[7-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)heptyl]-2,2,6,6-tetramethylpiperidin-4-amine.

Molecular Properties

Compound Name1-cyclohexyloxy-N-[7-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)heptyl]-2,2,6,6-tetramethylpiperidin-4-amine
PubChem CID157057576
Molecular FormulaC37H71N3O2
Molecular Weight589.99 g/mol
Exact Mass589.55
IUPAC Name1-cyclohexyloxy-N-[7-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)heptyl]-2,2,6,6-tetramethylpiperidin-4-amine
SMILESCC1(C)CC(CCCCCCCNC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)CC(C)(C)N1OC1CCCCC1
InChIInChI=1S/C37H71N3O2/c1-34(2)26-30(27-35(3,4)39(34)41-32-21-15-12-16-22-32)20-14-10-9-11-19-25-38-31-28-36(5,6)40(37(7,8)29-31)42-33-23-17-13-18-24-33/h30-33,38H,9-29H2,1-8H3
InChIKeyYYUPIRLELBIQDU-UHFFFAOYSA-N
XLogP9.74
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.99
LogP ≤ 59.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-cyclohexyloxy-N-[7-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)heptyl]-2,2,6,6-tetramethylpiperidin-4-amine with MolForge

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Related Compounds

2,2-bis[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]decanediamide
CID 54505780
1-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-N,N-dimethylmethanamine
CID 59934514
4-chloro-6-[4-[2-[4-[[4-chloro-6-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]oxy]phenyl]propan-2-yl]phenoxy]-N-[4-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazin-2-amine
CID 54371226
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N-butyl-1-hydroperoxy-2,2,6,6-tetramethylpiperidin-4-amine
CID 174683339
1-[4-(butylamino)-2,2,6,6-tetramethylpiperidin-1-yl]oxycyclohexan-1-ol
CID 174411658
6-chloro-2-N,4-N-bis[4-(1-cyclohex-3-en-1-yloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
CID 87324802
4-[6-[(1-formyl-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidine-1-carbaldehyde
CID 141252974
N-dodecylcyclohexanamine
CID 3679395
[4-[6-[(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]hexylamino]-2,2,6,6-tetramethylpiperidin-1-yl] propanoate
CID 20792527
N-(5-methoxypentyl)cyclooctanamine
CID 115714847
CID 101119102
CID 101119102

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-N-[7-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)heptyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The IUPAC name of 1-cyclohexyloxy-N-[7-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)heptyl]-2,2,6,6-tetramethylpiperidin-4-amine (CID 157057576) is 1-cyclohexyloxy-N-[7-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)heptyl]-2,2,6,6-tetramethylpiperidin-4-amine.
What is the SMILES notation for 1-cyclohexyloxy-N-[7-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)heptyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The canonical SMILES for 1-cyclohexyloxy-N-[7-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)heptyl]-2,2,6,6-tetramethylpiperidin-4-amine is CC1(C)CC(CCCCCCCNC2CC(C)(C)N(OC3CCCCC3)C(C)(C)C2)CC(C)(C)N1OC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxy-N-[7-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)heptyl]-2,2,6,6-tetramethylpiperidin-4-amine?
The InChIKey is YYUPIRLELBIQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H71N3O2/c1-34(2)26-30(27-35(3,4)39(34)41-32-21-15-12-16-22-32)20-14-10-9-11-19-25-38-31-28-36(5,6)40(37(7,8)29-31)42-33-23-17-13-18-24-33/h30-33,38H,9-29H2,1-8H3.
What are the key properties of 1-cyclohexyloxy-N-[7-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)heptyl]-2,2,6,6-tetramethylpiperidin-4-amine?
1-cyclohexyloxy-N-[7-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)heptyl]-2,2,6,6-tetramethylpiperidin-4-amine has a molecular weight of 589.99 g/mol, XLogP of 9.74, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-N-[7-(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)heptyl]-2,2,6,6-tetramethylpiperidin-4-amine is sourced from PubChem (CID 157057576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).