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

C16H29NO2 — CID 81014927

IUPAC2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(C2CCOC3(CCOCC3)C2)C1
InChIInChI=1S/C16H29NO2/c1-12-2-3-15(17)14(10-12)13-4-7-19-16(11-13)5-8-18-9-6-16/h12-15H,2-11,17H2,1H3
InChIKeyVJFQXOVYBGUNLH-UHFFFAOYSA-N
MW267.41 g/mol
LogP2.73
Rot. Bonds1

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

2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-amine (PubChem CID 81014927) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-amine
PubChem CID81014927
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(C2CCOC3(CCOCC3)C2)C1
InChIInChI=1S/C16H29NO2/c1-12-2-3-15(17)14(10-12)13-4-7-19-16(11-13)5-8-18-9-6-16/h12-15H,2-11,17H2,1H3
InChIKeyVJFQXOVYBGUNLH-UHFFFAOYSA-N
XLogP2.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-propylcyclohexan-1-amine
CID 81013625
1-[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81033462
4-(3-chloro-2-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79924165
4-methyl-1,9-dioxaspiro[5.5]undecane
CID 131067264
N-[[4-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cyclohexyl]methyl]cyclopropanamine
CID 81033490
4-(3-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79924284
4-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79920154
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine
CID 79914564
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
4-(3-bromocycloheptyl)-1,9-dioxaspiro[5.5]undecane
CID 79923911
1,9-dioxaspiro[5.5]undecan-4-yl-(3-methylcyclohexyl)methanamine
CID 79914941

Frequently Asked Questions

What is the IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-amine?
The IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-amine (CID 81014927) is 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-amine is CC1CCC(N)C(C2CCOC3(CCOCC3)C2)C1.
What is the InChIKey of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-amine?
The InChIKey is VJFQXOVYBGUNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-12-2-3-15(17)14(10-12)13-4-7-19-16(11-13)5-8-18-9-6-16/h12-15H,2-11,17H2,1H3.
What are the key properties of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-amine?
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-amine has a molecular weight of 267.41 g/mol, XLogP of 2.73, 1 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-methylcyclohexan-1-amine is sourced from PubChem (CID 81014927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).