9-[5-(7-tert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-2-yl)-2,5-dimethylhexan-2-yl]-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane

C34H66N4 — CID 156551133

IUPAC9-[5-(7-tert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-2-yl)-2,5-dimethylhexan-2-yl]-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)CN1CCCC2(CCN(C(C)(C)CCC(C)(C)N3CCC4CCN(C(C)(C)C)CC4C3)CC2)C1
InChIInChI=1S/C34H66N4/c1-30(2,3)26-35-19-11-14-34(27-35)17-22-36(23-18-34)32(7,8)15-16-33(9,10)38-21-13-28-12-20-37(31(4,5)6)24-29(28)25-38/h28-29H,11-27H2,1-10H3
InChIKeyKQPCNWXAQBQAPH-UHFFFAOYSA-N
MW530.93 g/mol
LogP6.99
Rot. Bonds6

About 9-[5-(7-tert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-2-yl)-2,5-dimethylhexan-2-yl]-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane

9-[5-(7-tert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-2-yl)-2,5-dimethylhexan-2-yl]-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane (PubChem CID 156551133) has the molecular formula C34H66N4 and a molecular weight of 530.93 g/mol. Its IUPAC name is 9-[5-(7-tert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-2-yl)-2,5-dimethylhexan-2-yl]-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[5-(7-tert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-2-yl)-2,5-dimethylhexan-2-yl]-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane
PubChem CID156551133
Molecular FormulaC34H66N4
Molecular Weight530.93 g/mol
Exact Mass530.53
IUPAC Name9-[5-(7-tert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-2-yl)-2,5-dimethylhexan-2-yl]-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane
SMILESCC(C)(C)CN1CCCC2(CCN(C(C)(C)CCC(C)(C)N3CCC4CCN(C(C)(C)C)CC4C3)CC2)C1
InChIInChI=1S/C34H66N4/c1-30(2,3)26-35-19-11-14-34(27-35)17-22-36(23-18-34)32(7,8)15-16-33(9,10)38-21-13-28-12-20-37(31(4,5)6)24-29(28)25-38/h28-29H,11-27H2,1-10H3
InChIKeyKQPCNWXAQBQAPH-UHFFFAOYSA-N
XLogP6.99
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.93
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-[5-(7-tert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-2-yl)-2,5-dimethylhexan-2-yl]-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[5-(7-tert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-2-yl)-2,5-dimethylhexan-2-yl]-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-[5-(7-tert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-2-yl)-2,5-dimethylhexan-2-yl]-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane (CID 156551133) is 9-[5-(7-tert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-2-yl)-2,5-dimethylhexan-2-yl]-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-[5-(7-tert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-2-yl)-2,5-dimethylhexan-2-yl]-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-[5-(7-tert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-2-yl)-2,5-dimethylhexan-2-yl]-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane is CC(C)(C)CN1CCCC2(CCN(C(C)(C)CCC(C)(C)N3CCC4CCN(C(C)(C)C)CC4C3)CC2)C1.
What is the InChIKey of 9-[5-(7-tert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-2-yl)-2,5-dimethylhexan-2-yl]-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane?
The InChIKey is KQPCNWXAQBQAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H66N4/c1-30(2,3)26-35-19-11-14-34(27-35)17-22-36(23-18-34)32(7,8)15-16-33(9,10)38-21-13-28-12-20-37(31(4,5)6)24-29(28)25-38/h28-29H,11-27H2,1-10H3.
What are the key properties of 9-[5-(7-tert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-2-yl)-2,5-dimethylhexan-2-yl]-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane?
9-[5-(7-tert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-2-yl)-2,5-dimethylhexan-2-yl]-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane has a molecular weight of 530.93 g/mol, XLogP of 6.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[5-(7-tert-butyl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridin-2-yl)-2,5-dimethylhexan-2-yl]-2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 156551133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).