3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpropan-1-amine

C15H29NO2 — CID 79923262

IUPAC3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)CC1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H29NO2/c1-3-16-12-13(2)10-14-4-7-18-15(11-14)5-8-17-9-6-15/h13-14,16H,3-12H2,1-2H3
InChIKeySOTZDNIOQXSZNP-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.60
Rot. Bonds5

About 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpropan-1-amine

3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpropan-1-amine (PubChem CID 79923262) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpropan-1-amine
PubChem CID79923262
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpropan-1-amine
SMILESCCNCC(C)CC1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H29NO2/c1-3-16-12-13(2)10-14-4-7-18-15(11-14)5-8-17-9-6-15/h13-14,16H,3-12H2,1-2H3
InChIKeySOTZDNIOQXSZNP-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methyl-3-(5-oxaspiro[3.5]nonan-8-yl)propan-1-amine
CID 79923385
4-(3-chloro-2-methylpropyl)-1,9-dioxaspiro[5.5]undecane
CID 79923043
2-methyl-N-(2-methylpropyl)-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79923005
2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propylpropan-1-amine
CID 79923979
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylpropanoic acid
CID 81009039
N-(6-oxaspiro[4.5]decan-9-ylmethyl)ethanamine
CID 79914759
2-methyl-3-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79924373
N-(5-oxaspiro[3.5]nonan-8-ylmethyl)propan-2-amine
CID 79914114
2-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylpropan-1-amine
CID 79922745
N-[[1-(1,9-dioxaspiro[5.5]undecan-4-yl)piperidin-4-yl]methyl]ethanamine
CID 79910833
3-cyclopentyl-N-ethyl-2-methylpropan-1-amine
CID 62528074
2-methyl-N-(6-oxaspiro[4.5]decan-9-ylmethyl)propan-1-amine
CID 79914861

Frequently Asked Questions

What is the IUPAC name of 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpropan-1-amine?
The IUPAC name of 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpropan-1-amine (CID 79923262) is 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpropan-1-amine?
The canonical SMILES for 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpropan-1-amine is CCNCC(C)CC1CCOC2(CCOCC2)C1.
What is the InChIKey of 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpropan-1-amine?
The InChIKey is SOTZDNIOQXSZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-16-12-13(2)10-14-4-7-18-15(11-14)5-8-17-9-6-15/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpropan-1-amine?
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpropan-1-amine has a molecular weight of 255.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-2-methylpropan-1-amine is sourced from PubChem (CID 79923262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).