N'-ethyl-2,2-dimethyl-N'-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propane-1,3-diamine

C15H30N2OS — CID 79902523

IUPACN'-ethyl-2,2-dimethyl-N'-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propane-1,3-diamine
SMILESCCN(CC(C)(C)CN)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H30N2OS/c1-4-17(11-14(2,3)10-16)13-5-7-18-15(9-13)6-8-19-12-15/h13H,4-12,16H2,1-3H3
InChIKeyFZNSHRQSYHQIPC-UHFFFAOYSA-N
MW286.48 g/mol
LogP2.35
Rot. Bonds5

About N'-ethyl-2,2-dimethyl-N'-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propane-1,3-diamine

N'-ethyl-2,2-dimethyl-N'-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propane-1,3-diamine (PubChem CID 79902523) has the molecular formula C15H30N2OS and a molecular weight of 286.48 g/mol. Its IUPAC name is N'-ethyl-2,2-dimethyl-N'-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2,2-dimethyl-N'-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propane-1,3-diamine
PubChem CID79902523
Molecular FormulaC15H30N2OS
Molecular Weight286.48 g/mol
Exact Mass286.21
IUPAC NameN'-ethyl-2,2-dimethyl-N'-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propane-1,3-diamine
SMILESCCN(CC(C)(C)CN)C1CCOC2(CCSC2)C1
InChIInChI=1S/C15H30N2OS/c1-4-17(11-14(2,3)10-16)13-5-7-18-15(9-13)6-8-19-12-15/h13H,4-12,16H2,1-3H3
InChIKeyFZNSHRQSYHQIPC-UHFFFAOYSA-N
XLogP2.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-ethyl-2,2-dimethyl-N'-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propane-1,3-diamine with MolForge

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Related Compounds

N'-ethyl-2,2-dimethyl-N'-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propane-1,3-diamine
CID 79901501
N',2,2-trimethyl-N'-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propane-1,3-diamine
CID 79900624
2-[ethyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]ethanol
CID 79919525
2,2-dimethyl-N'-(5-oxaspiro[3.5]nonan-8-yl)-N'-propylpropane-1,3-diamine
CID 79898830
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79900011
N-ethyl-N-(piperidin-2-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 106632717
3-N-methyl-3-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butane-1,3-diamine
CID 79897829
ethyl 2-[ethyl(1-oxa-9-thiaspiro[5.5]undecan-4-yl)amino]acetate
CID 79920431
N'-ethyl-2,2-dimethyl-N'-(thian-3-yl)propane-1,3-diamine
CID 79660758
N'-(4,4-dimethylcycloheptyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660402
N'-cyclopropyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 62264209
2-methyl-2-[methyl(6-oxa-2-thiaspiro[4.5]decan-9-yl)amino]propanoic acid
CID 79894518

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2,2-dimethyl-N'-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propane-1,3-diamine?
The IUPAC name of N'-ethyl-2,2-dimethyl-N'-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propane-1,3-diamine (CID 79902523) is N'-ethyl-2,2-dimethyl-N'-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2,2-dimethyl-N'-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2,2-dimethyl-N'-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propane-1,3-diamine is CCN(CC(C)(C)CN)C1CCOC2(CCSC2)C1.
What is the InChIKey of N'-ethyl-2,2-dimethyl-N'-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propane-1,3-diamine?
The InChIKey is FZNSHRQSYHQIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS/c1-4-17(11-14(2,3)10-16)13-5-7-18-15(9-13)6-8-19-12-15/h13H,4-12,16H2,1-3H3.
What are the key properties of N'-ethyl-2,2-dimethyl-N'-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propane-1,3-diamine?
N'-ethyl-2,2-dimethyl-N'-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propane-1,3-diamine has a molecular weight of 286.48 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2,2-dimethyl-N'-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propane-1,3-diamine is sourced from PubChem (CID 79902523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).