1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine

C15H29NO2 — CID 79915399

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine
SMILESCC(C)CCC(N)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H29NO2/c1-12(2)3-4-14(16)13-5-8-18-15(11-13)6-9-17-10-7-15/h12-14H,3-11,16H2,1-2H3
InChIKeyAWDQQYHYDVIYAF-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.73
Rot. Bonds4

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine (PubChem CID 79915399) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine
PubChem CID79915399
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine
SMILESCC(C)CCC(N)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C15H29NO2/c1-12(2)3-4-14(16)13-5-8-18-15(11-13)6-9-17-10-7-15/h12-14H,3-11,16H2,1-2H3
InChIKeyAWDQQYHYDVIYAF-UHFFFAOYSA-N
XLogP2.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,9-dioxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 79911282
1-(1,9-dioxaspiro[5.5]undecan-4-yl)octan-1-amine
CID 105012097
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-propan-2-ylsulfanylethanamine
CID 79911677
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-ethoxybutan-1-amine
CID 105167577
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-ethyl-4-methylpentan-1-amine
CID 79915050
2-cyclobutyl-1-(1,9-dioxaspiro[5.5]undecan-4-yl)ethanamine
CID 103169144
1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79914693
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-ethoxyethanamine
CID 79911954
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,2-dimethoxyethanamine
CID 79911630
1-(2,6-dioxaspiro[4.5]decan-9-yl)octan-1-amine
CID 105017103
[1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentyl]hydrazine
CID 105207730
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103169143

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine (CID 79915399) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine is CC(C)CCC(N)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine?
The InChIKey is AWDQQYHYDVIYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12(2)3-4-14(16)13-5-8-18-15(11-13)6-9-17-10-7-15/h12-14H,3-11,16H2,1-2H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine has a molecular weight of 255.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylpentan-1-amine is sourced from PubChem (CID 79915399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).