1-[(9-ethyl-1,9-diazaspiro[5.5]undecan-5-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[5.5]undecane

C24H46N4 — CID 135257278

IUPAC1-[(9-ethyl-1,9-diazaspiro[5.5]undecan-5-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[5.5]undecane
SMILESCCN1CCC2(CC1)NCCCC2CN1CCCCC12CCN(C(C)C)CC2
InChIInChI=1S/C24H46N4/c1-4-26-16-12-24(13-17-26)22(8-7-14-25-24)20-28-15-6-5-9-23(28)10-18-27(19-11-23)21(2)3/h21-22,25H,4-20H2,1-3H3
InChIKeyAQGLSTSUIDILIQ-UHFFFAOYSA-N
MW390.66 g/mol
LogP3.57
Rot. Bonds4

About 1-[(9-ethyl-1,9-diazaspiro[5.5]undecan-5-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[5.5]undecane

1-[(9-ethyl-1,9-diazaspiro[5.5]undecan-5-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[5.5]undecane (PubChem CID 135257278) has the molecular formula C24H46N4 and a molecular weight of 390.66 g/mol. Its IUPAC name is 1-[(9-ethyl-1,9-diazaspiro[5.5]undecan-5-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-[(9-ethyl-1,9-diazaspiro[5.5]undecan-5-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[5.5]undecane
PubChem CID135257278
Molecular FormulaC24H46N4
Molecular Weight390.66 g/mol
Exact Mass390.37
IUPAC Name1-[(9-ethyl-1,9-diazaspiro[5.5]undecan-5-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[5.5]undecane
SMILESCCN1CCC2(CC1)NCCCC2CN1CCCCC12CCN(C(C)C)CC2
InChIInChI=1S/C24H46N4/c1-4-26-16-12-24(13-17-26)22(8-7-14-25-24)20-28-15-6-5-9-23(28)10-18-27(19-11-23)21(2)3/h21-22,25H,4-20H2,1-3H3
InChIKeyAQGLSTSUIDILIQ-UHFFFAOYSA-N
XLogP3.57
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.66
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(9-ethyl-1,9-diazaspiro[5.5]undecan-5-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[5.5]undecane?
The IUPAC name of 1-[(9-ethyl-1,9-diazaspiro[5.5]undecan-5-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[5.5]undecane (CID 135257278) is 1-[(9-ethyl-1,9-diazaspiro[5.5]undecan-5-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-[(9-ethyl-1,9-diazaspiro[5.5]undecan-5-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[5.5]undecane?
The canonical SMILES for 1-[(9-ethyl-1,9-diazaspiro[5.5]undecan-5-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[5.5]undecane is CCN1CCC2(CC1)NCCCC2CN1CCCCC12CCN(C(C)C)CC2.
What is the InChIKey of 1-[(9-ethyl-1,9-diazaspiro[5.5]undecan-5-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[5.5]undecane?
The InChIKey is AQGLSTSUIDILIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N4/c1-4-26-16-12-24(13-17-26)22(8-7-14-25-24)20-28-15-6-5-9-23(28)10-18-27(19-11-23)21(2)3/h21-22,25H,4-20H2,1-3H3.
What are the key properties of 1-[(9-ethyl-1,9-diazaspiro[5.5]undecan-5-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[5.5]undecane?
1-[(9-ethyl-1,9-diazaspiro[5.5]undecan-5-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[5.5]undecane has a molecular weight of 390.66 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(9-ethyl-1,9-diazaspiro[5.5]undecan-5-yl)methyl]-9-propan-2-yl-1,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 135257278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).