1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylhexan-3-amine

C15H29NO2 — CID 79923379

IUPAC1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylhexan-3-amine
SMILESCCCC(CCC1CCOC2(CCOC2)C1)NC
InChIInChI=1S/C15H29NO2/c1-3-4-14(16-2)6-5-13-7-9-18-15(11-13)8-10-17-12-15/h13-14,16H,3-12H2,1-2H3
InChIKeyFDZLYTSNFWIOPT-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.74
Rot. Bonds6

About 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylhexan-3-amine

1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylhexan-3-amine (PubChem CID 79923379) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylhexan-3-amine.

Molecular Properties

Compound Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylhexan-3-amine
PubChem CID79923379
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylhexan-3-amine
SMILESCCCC(CCC1CCOC2(CCOC2)C1)NC
InChIInChI=1S/C15H29NO2/c1-3-4-14(16-2)6-5-13-7-9-18-15(11-13)8-10-17-12-15/h13-14,16H,3-12H2,1-2H3
InChIKeyFDZLYTSNFWIOPT-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)hexan-3-amine
CID 79923117
1-(2,6-dioxaspiro[4.5]decan-9-yl)hexan-3-amine
CID 79922713
4-(2,6-dioxaspiro[4.5]decan-9-yl)-N-propylbutan-2-amine
CID 79924363
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methyl-N-propylpentan-3-amine
CID 79922477
N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-3-amine
CID 79922733
N-methyl-1-(oxan-4-yl)hexan-3-amine
CID 62386806
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpentan-1-amine
CID 79911806
3-cyclopentyl-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-ethylpropan-1-amine
CID 105017087
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine
CID 79924224
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2-propylpentan-1-amine
CID 105017171
3-(2,6-dioxaspiro[4.5]decan-9-yl)-1-phenylpropan-1-ol
CID 79923532
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N,2,2-trimethylpropan-1-amine
CID 79914724

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylhexan-3-amine?
The IUPAC name of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylhexan-3-amine (CID 79923379) is 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylhexan-3-amine.
What is the SMILES notation for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylhexan-3-amine?
The canonical SMILES for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylhexan-3-amine is CCCC(CCC1CCOC2(CCOC2)C1)NC.
What is the InChIKey of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylhexan-3-amine?
The InChIKey is FDZLYTSNFWIOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-4-14(16-2)6-5-13-7-9-18-15(11-13)8-10-17-12-15/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylhexan-3-amine?
1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylhexan-3-amine has a molecular weight of 255.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylhexan-3-amine is sourced from PubChem (CID 79923379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).