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

C15H30N2OS — CID 79895464

IUPACN',N'-dimethyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butane-1,4-diamine
SMILESCN(C)CCCCNC1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H30N2OS/c1-17(2)9-4-3-8-16-14-5-10-18-15(13-14)6-11-19-12-7-15/h14,16H,3-13H2,1-2H3
InChIKeyDAXPCYHYOAKLCZ-UHFFFAOYSA-N
MW286.48 g/mol
LogP2.36
Rot. Bonds6

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

N',N'-dimethyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butane-1,4-diamine (PubChem CID 79895464) has the molecular formula C15H30N2OS and a molecular weight of 286.48 g/mol. Its IUPAC name is N',N'-dimethyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butane-1,4-diamine
PubChem CID79895464
Molecular FormulaC15H30N2OS
Molecular Weight286.48 g/mol
Exact Mass286.21
IUPAC NameN',N'-dimethyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butane-1,4-diamine
SMILESCN(C)CCCCNC1CCOC2(CCSCC2)C1
InChIInChI=1S/C15H30N2OS/c1-17(2)9-4-3-8-16-14-5-10-18-15(13-14)6-11-19-12-7-15/h14,16H,3-13H2,1-2H3
InChIKeyDAXPCYHYOAKLCZ-UHFFFAOYSA-N
XLogP2.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.48
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-octyl-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 115567507
N-(2,6-dioxaspiro[4.5]decan-9-yl)-N',N'-dimethylbutane-1,4-diamine
CID 79895176
6-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)hexan-1-ol
CID 107851771
5-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)pentan-2-ol
CID 106131335
N-(3-propoxypropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 82944251
N'-methyl-N-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 106045761
4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanoic acid
CID 79894426
N'-methyl-N-(1-oxaspiro[5.5]undecan-4-yl)-N'-propan-2-ylbutane-1,4-diamine
CID 79899327
N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903035
N-(2-methylsulfinylpropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 113484095
N-(4-methylpentyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79895208
N-(2-pyrrolidin-1-ylethyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903880

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butane-1,4-diamine?
The IUPAC name of N',N'-dimethyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butane-1,4-diamine (CID 79895464) is N',N'-dimethyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butane-1,4-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butane-1,4-diamine?
The canonical SMILES for N',N'-dimethyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butane-1,4-diamine is CN(C)CCCCNC1CCOC2(CCSCC2)C1.
What is the InChIKey of N',N'-dimethyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butane-1,4-diamine?
The InChIKey is DAXPCYHYOAKLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2OS/c1-17(2)9-4-3-8-16-14-5-10-18-15(13-14)6-11-19-12-7-15/h14,16H,3-13H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butane-1,4-diamine?
N',N'-dimethyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butane-1,4-diamine has a molecular weight of 286.48 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butane-1,4-diamine is sourced from PubChem (CID 79895464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).