4-[2,3-dimethyl-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)butan-2-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane

C23H44N4O2 — CID 139363204

IUPAC4-[2,3-dimethyl-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)butan-2-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CC1)CN(C(C)(C)C(C)(C)N1CCC3(CC1)CNCCO3)CCO2
InChIInChI=1S/C23H44N4O2/c1-20(2,26-13-8-22(9-14-26)18-24-10-16-28-22)21(3,4)27-15-17-29-23(19-27)6-11-25(5)12-7-23/h24H,6-19H2,1-5H3
InChIKeyIGGQZWYPAWOJAN-UHFFFAOYSA-N
MW408.63 g/mol
LogP1.79
Rot. Bonds3

About 4-[2,3-dimethyl-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)butan-2-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane

4-[2,3-dimethyl-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)butan-2-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 139363204) has the molecular formula C23H44N4O2 and a molecular weight of 408.63 g/mol. Its IUPAC name is 4-[2,3-dimethyl-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)butan-2-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name4-[2,3-dimethyl-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)butan-2-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID139363204
Molecular FormulaC23H44N4O2
Molecular Weight408.63 g/mol
Exact Mass408.35
IUPAC Name4-[2,3-dimethyl-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)butan-2-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESCN1CCC2(CC1)CN(C(C)(C)C(C)(C)N1CCC3(CC1)CNCCO3)CCO2
InChIInChI=1S/C23H44N4O2/c1-20(2,26-13-8-22(9-14-26)18-24-10-16-28-22)21(3,4)27-15-17-29-23(19-27)6-11-25(5)12-7-23/h24H,6-19H2,1-5H3
InChIKeyIGGQZWYPAWOJAN-UHFFFAOYSA-N
XLogP1.79
TPSA40.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.63
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2,3-dimethyl-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)butan-2-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-Bis(2,6-diethylmorpholin-4-yl)-3-[(2-ethylmorpholin-4-yl)methyl]pentan-3-amine
CID 19989284
1,5-Bis(2,6-dimethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine
CID 19989288
1,5-Bis(2-ethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine
CID 54066041
1,5-Bis(2-methylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine
CID 54082982
1,5-Bis(2,6-diethylmorpholin-4-yl)-3-(morpholin-4-ylmethyl)pentan-3-amine
CID 54345253
3-[(2,6-Diethylmorpholin-4-yl)methyl]-1,5-bis(2,6-dimethylmorpholin-4-yl)pentan-3-amine
CID 54523582
1,5-Bis(2,6-dimethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine
CID 67928011
3-[(2,6-Dimethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine
CID 67928014
1,5-Bis(2,6-diethylmorpholin-4-yl)-3-[(2-methylmorpholin-4-yl)methyl]pentan-3-amine
CID 67928015
3-[(2-Ethylmorpholin-4-yl)methyl]-1,5-bis(2-methylmorpholin-4-yl)pentan-3-amine
CID 67928018
3-[(2,6-Diethylmorpholin-4-yl)methyl]-1,5-bis(2-ethylmorpholin-4-yl)pentan-3-amine
CID 67928020
3-[(2,6-Diethylmorpholin-4-yl)methyl]-1,5-bis(2-methylmorpholin-4-yl)pentan-3-amine
CID 67928022

Frequently Asked Questions

What is the IUPAC name of 4-[2,3-dimethyl-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)butan-2-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 4-[2,3-dimethyl-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)butan-2-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 139363204) is 4-[2,3-dimethyl-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)butan-2-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 4-[2,3-dimethyl-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)butan-2-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 4-[2,3-dimethyl-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)butan-2-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane is CN1CCC2(CC1)CN(C(C)(C)C(C)(C)N1CCC3(CC1)CNCCO3)CCO2.
What is the InChIKey of 4-[2,3-dimethyl-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)butan-2-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is IGGQZWYPAWOJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4O2/c1-20(2,26-13-8-22(9-14-26)18-24-10-16-28-22)21(3,4)27-15-17-29-23(19-27)6-11-25(5)12-7-23/h24H,6-19H2,1-5H3.
What are the key properties of 4-[2,3-dimethyl-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)butan-2-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane?
4-[2,3-dimethyl-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)butan-2-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 408.63 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-dimethyl-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)butan-2-yl]-9-methyl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 139363204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).