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

C18H33NO2 — CID 81013625

IUPAC2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(C2CCOC3(CCOCC3)C2)C1
InChIInChI=1S/C18H33NO2/c1-2-3-14-4-5-17(19)16(12-14)15-6-9-21-18(13-15)7-10-20-11-8-18/h14-17H,2-13,19H2,1H3
InChIKeyYIELTOKMZNDNDJ-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.51
Rot. Bonds3

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

2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-propylcyclohexan-1-amine (PubChem CID 81013625) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-propylcyclohexan-1-amine
PubChem CID81013625
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(C2CCOC3(CCOCC3)C2)C1
InChIInChI=1S/C18H33NO2/c1-2-3-14-4-5-17(19)16(12-14)15-6-9-21-18(13-15)7-10-20-11-8-18/h14-17H,2-13,19H2,1H3
InChIKeyYIELTOKMZNDNDJ-UHFFFAOYSA-N
XLogP3.51
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-amine
CID 81014927
1-[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81033462
4-(3-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79924284
4-(3-chloro-2-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79924165
4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79920154
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcyclopentan-1-amine
CID 79922466
4-(2-chlorocyclohexyl)-1,9-dioxaspiro[5.5]undecane
CID 79919791
N-(4-propylcyclohexyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894869
4-(3-bromocycloheptyl)-1,9-dioxaspiro[5.5]undecane
CID 79923911
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcycloheptan-1-amine
CID 79919575
5-oxaspiro[3.5]nonan-8-yl-(4-propylcyclohexyl)methanamine
CID 79912209
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-propylcyclohexan-1-ol
CID 79899722

Frequently Asked Questions

What is the IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-propylcyclohexan-1-amine (CID 81013625) is 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(C2CCOC3(CCOCC3)C2)C1.
What is the InChIKey of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-propylcyclohexan-1-amine?
The InChIKey is YIELTOKMZNDNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-2-3-14-4-5-17(19)16(12-14)15-6-9-21-18(13-15)7-10-20-11-8-18/h14-17H,2-13,19H2,1H3.
What are the key properties of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-propylcyclohexan-1-amine?
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-propylcyclohexan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 81013625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).