1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,5-dimethylcyclohexan-1-amine

C17H31NO2 — CID 79912664

IUPAC1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,5-dimethylcyclohexan-1-amine
SMILESCC1CCC(C)C(N)(C2CCOC3(CCOCC3)C2)C1
InChIInChI=1S/C17H31NO2/c1-13-3-4-14(2)17(18,11-13)15-5-8-20-16(12-15)6-9-19-10-7-16/h13-15H,3-12,18H2,1-2H3
InChIKeyQIAOCJAQCVDSGW-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.12
Rot. Bonds1

About 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,5-dimethylcyclohexan-1-amine

1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,5-dimethylcyclohexan-1-amine (PubChem CID 79912664) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,5-dimethylcyclohexan-1-amine
PubChem CID79912664
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,5-dimethylcyclohexan-1-amine
SMILESCC1CCC(C)C(N)(C2CCOC3(CCOCC3)C2)C1
InChIInChI=1S/C17H31NO2/c1-13-3-4-14(2)17(18,11-13)15-5-8-20-16(12-15)6-9-19-10-7-16/h13-15H,3-12,18H2,1-2H3
InChIKeyQIAOCJAQCVDSGW-UHFFFAOYSA-N
XLogP3.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-1-(oxan-4-yl)cyclohexan-1-amine
CID 64762780
1-(2,6-dioxaspiro[4.5]decan-9-yl)-5-methyl-2-propan-2-ylcyclohexan-1-amine
CID 79907464
4-methyl-1,9-dioxaspiro[5.5]undecane
CID 131067264
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-ol
CID 79901774
1-(1,9-dioxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 79912406
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine
CID 79914564
2-methyl-1-(oxan-4-yl)cyclopropan-1-amine
CID 79333961
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-4,4-dimethylcyclohexan-1-ol
CID 79912494
9-methyl-2,6-dioxaspiro[4.5]decane
CID 177019737
(7S)-7-methyl-4-oxaspiro[2.5]octane
CID 139336511
4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine
CID 79912522
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-amine
CID 81014927

Frequently Asked Questions

What is the IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,5-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,5-dimethylcyclohexan-1-amine (CID 79912664) is 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,5-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,5-dimethylcyclohexan-1-amine is CC1CCC(C)C(N)(C2CCOC3(CCOCC3)C2)C1.
What is the InChIKey of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,5-dimethylcyclohexan-1-amine?
The InChIKey is QIAOCJAQCVDSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-13-3-4-14(2)17(18,11-13)15-5-8-20-16(12-15)6-9-19-10-7-16/h13-15H,3-12,18H2,1-2H3.
What are the key properties of 1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,5-dimethylcyclohexan-1-amine?
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2,5-dimethylcyclohexan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 3.12, 1 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)-2,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79912664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).