1-N,4-N-dimethyl-4-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexane-1,4-diamine

C17H32N2OS — CID 79902825

IUPAC1-N,4-N-dimethyl-4-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)C2CCOC3(CCSCC3)C2)CC1
InChIInChI=1S/C17H32N2OS/c1-18-14-3-5-15(6-4-14)19(2)16-7-10-20-17(13-16)8-11-21-12-9-17/h14-16,18H,3-13H2,1-2H3
InChIKeyFRUBWPHBIHWDFB-UHFFFAOYSA-N
MW312.52 g/mol
LogP2.89
Rot. Bonds3

About 1-N,4-N-dimethyl-4-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexane-1,4-diamine

1-N,4-N-dimethyl-4-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexane-1,4-diamine (PubChem CID 79902825) has the molecular formula C17H32N2OS and a molecular weight of 312.52 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-4-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-4-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexane-1,4-diamine
PubChem CID79902825
Molecular FormulaC17H32N2OS
Molecular Weight312.52 g/mol
Exact Mass312.22
IUPAC Name1-N,4-N-dimethyl-4-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexane-1,4-diamine
SMILESCNC1CCC(N(C)C2CCOC3(CCSCC3)C2)CC1
InChIInChI=1S/C17H32N2OS/c1-18-14-3-5-15(6-4-14)19(2)16-7-10-20-17(13-16)8-11-21-12-9-17/h14-16,18H,3-13H2,1-2H3
InChIKeyFRUBWPHBIHWDFB-UHFFFAOYSA-N
XLogP2.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.52
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-ethyl-4-N-methyl-4-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexane-1,4-diamine
CID 79902820
N-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)azepan-4-amine
CID 107173436
1-[[methyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]methyl]cyclopentan-1-ol
CID 114952588
N-methyl-N-(5-oxaspiro[3.5]nonan-8-yl)piperidin-4-amine
CID 79899995
1-cyclopropyl-N-methyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethane-1,2-diamine
CID 116652448
N',N'-dimethyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butane-1,4-diamine
CID 79895464
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)pyrrolidin-3-amine
CID 113281993
N-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cycloheptan-1-amine
CID 79923380
2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]ethanol
CID 79919655
N-(2,2,3,3-tetramethylcyclopropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903238
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
CID 79914536
2-[1-oxa-9-thiaspiro[5.5]undecan-4-yl(propyl)amino]acetonitrile
CID 79903096

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-4-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexane-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-4-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexane-1,4-diamine (CID 79902825) is 1-N,4-N-dimethyl-4-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-4-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-4-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexane-1,4-diamine is CNC1CCC(N(C)C2CCOC3(CCSCC3)C2)CC1.
What is the InChIKey of 1-N,4-N-dimethyl-4-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexane-1,4-diamine?
The InChIKey is FRUBWPHBIHWDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2OS/c1-18-14-3-5-15(6-4-14)19(2)16-7-10-20-17(13-16)8-11-21-12-9-17/h14-16,18H,3-13H2,1-2H3.
What are the key properties of 1-N,4-N-dimethyl-4-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexane-1,4-diamine?
1-N,4-N-dimethyl-4-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexane-1,4-diamine has a molecular weight of 312.52 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-4-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79902825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).