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

C17H31NO2 — CID 79919575

IUPAC2-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H31NO2/c1-18-16-6-4-2-3-5-15(16)14-7-10-20-17(13-14)8-11-19-12-9-17/h14-16,18H,2-13H2,1H3
InChIKeyFWHZJYFWKMECOT-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.13
Rot. Bonds2

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

2-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcycloheptan-1-amine (PubChem CID 79919575) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcycloheptan-1-amine
PubChem CID79919575
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name2-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcycloheptan-1-amine
SMILESCNC1CCCCCC1C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H31NO2/c1-18-16-6-4-2-3-5-15(16)14-7-10-20-17(13-14)8-11-19-12-9-17/h14-16,18H,2-13H2,1H3
InChIKeyFWHZJYFWKMECOT-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-amine
CID 79920797
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-(2-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79920154
2-(6-oxaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine
CID 79920486
N-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cycloheptan-1-amine
CID 79923380
N-cycloheptyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897814
9-(2-bromocyclohexyl)-2,6-dioxaspiro[4.5]decane
CID 79919559
4-(3-bromocycloheptyl)-1,9-dioxaspiro[5.5]undecane
CID 79923911
N-methyl-1-[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
CID 81027223
4-(3-chloro-2-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79924165
1-[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81033462

Frequently Asked Questions

What is the IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcycloheptan-1-amine?
The IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcycloheptan-1-amine (CID 79919575) is 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcycloheptan-1-amine.
What is the SMILES notation for 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcycloheptan-1-amine?
The canonical SMILES for 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcycloheptan-1-amine is CNC1CCCCCC1C1CCOC2(CCOCC2)C1.
What is the InChIKey of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcycloheptan-1-amine?
The InChIKey is FWHZJYFWKMECOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-18-16-6-4-2-3-5-15(16)14-7-10-20-17(13-14)8-11-19-12-9-17/h14-16,18H,2-13H2,1H3.
What are the key properties of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcycloheptan-1-amine?
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcycloheptan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 3.13, 2 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)-N-methylcycloheptan-1-amine is sourced from PubChem (CID 79919575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).