N',N'-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)butane-1,4-diamine

C15H30N2O — CID 79895323

IUPACN',N'-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)butane-1,4-diamine
SMILESCN(C)CCCCNC1CCOC2(CCCC2)C1
InChIInChI=1S/C15H30N2O/c1-17(2)11-6-5-10-16-14-7-12-18-15(13-14)8-3-4-9-15/h14,16H,3-13H2,1-2H3
InChIKeyQMHGTOVYKOZVRZ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.41
Rot. Bonds6

About N',N'-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)butane-1,4-diamine

N',N'-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)butane-1,4-diamine (PubChem CID 79895323) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N',N'-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)butane-1,4-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)butane-1,4-diamine
PubChem CID79895323
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN',N'-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)butane-1,4-diamine
SMILESCN(C)CCCCNC1CCOC2(CCCC2)C1
InChIInChI=1S/C15H30N2O/c1-17(2)11-6-5-10-16-14-7-12-18-15(13-14)8-3-4-9-15/h14,16H,3-13H2,1-2H3
InChIKeyQMHGTOVYKOZVRZ-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)butane-1,4-diamine?
The IUPAC name of N',N'-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)butane-1,4-diamine (CID 79895323) is N',N'-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)butane-1,4-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)butane-1,4-diamine?
The canonical SMILES for N',N'-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)butane-1,4-diamine is CN(C)CCCCNC1CCOC2(CCCC2)C1.
What is the InChIKey of N',N'-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)butane-1,4-diamine?
The InChIKey is QMHGTOVYKOZVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-17(2)11-6-5-10-16-14-7-12-18-15(13-14)8-3-4-9-15/h14,16H,3-13H2,1-2H3.
What are the key properties of N',N'-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)butane-1,4-diamine?
N',N'-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)butane-1,4-diamine has a molecular weight of 254.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(6-oxaspiro[4.5]decan-9-yl)butane-1,4-diamine is sourced from PubChem (CID 79895323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).