3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcyclopentan-1-amine

C15H27NO2 — CID 79922466

IUPAC3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcyclopentan-1-amine
SMILESCNC1CCC(C2CCOC3(CCOCC3)C2)C1
InChIInChI=1S/C15H27NO2/c1-16-14-3-2-12(10-14)13-4-7-18-15(11-13)5-8-17-9-6-15/h12-14,16H,2-11H2,1H3
InChIKeyXAVLPBHAQJHDRA-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.35
Rot. Bonds2

About 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcyclopentan-1-amine

3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcyclopentan-1-amine (PubChem CID 79922466) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcyclopentan-1-amine
PubChem CID79922466
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcyclopentan-1-amine
SMILESCNC1CCC(C2CCOC3(CCOCC3)C2)C1
InChIInChI=1S/C15H27NO2/c1-16-14-3-2-12(10-14)13-4-7-18-15(11-13)5-8-17-9-6-15/h12-14,16H,2-11H2,1H3
InChIKeyXAVLPBHAQJHDRA-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcycloheptan-1-amine
CID 79919575
4-(3-bromocyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79924284
N-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cycloheptan-1-amine
CID 79923380
4-(3-bromocycloheptyl)-1,9-dioxaspiro[5.5]undecane
CID 79923911
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682
N-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-amine
CID 79920797
1-[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81033462
N-ethyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine
CID 79923972
4-methyl-1,9-dioxaspiro[5.5]undecane
CID 131067264
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexan-1-amine
CID 81014927
4-(3-chloro-2-methylcyclopentyl)-1,9-dioxaspiro[5.5]undecane
CID 79924165
4-(3-bromocyclopentyl)-1-oxaspiro[5.5]undecane
CID 79924283

Frequently Asked Questions

What is the IUPAC name of 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcyclopentan-1-amine?
The IUPAC name of 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcyclopentan-1-amine (CID 79922466) is 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcyclopentan-1-amine.
What is the SMILES notation for 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcyclopentan-1-amine?
The canonical SMILES for 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcyclopentan-1-amine is CNC1CCC(C2CCOC3(CCOCC3)C2)C1.
What is the InChIKey of 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcyclopentan-1-amine?
The InChIKey is XAVLPBHAQJHDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-16-14-3-2-12(10-14)13-4-7-18-15(11-13)5-8-17-9-6-15/h12-14,16H,2-11H2,1H3.
What are the key properties of 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcyclopentan-1-amine?
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcyclopentan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcyclopentan-1-amine is sourced from PubChem (CID 79922466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).