[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexyl]methanamine

C14H26N2O2 — CID 35743000

IUPAC[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexyl]methanamine
SMILESNCC1(N2CCC3(CC2)OCCO3)CCCCC1
InChIInChI=1S/C14H26N2O2/c15-12-13(4-2-1-3-5-13)16-8-6-14(7-9-16)17-10-11-18-14/h1-12,15H2
InChIKeyWLYNZRMIBKSHKX-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.49
Rot. Bonds2

About [1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexyl]methanamine

[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexyl]methanamine (PubChem CID 35743000) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is [1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexyl]methanamine
PubChem CID35743000
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexyl]methanamine
SMILESNCC1(N2CCC3(CC2)OCCO3)CCCCC1
InChIInChI=1S/C14H26N2O2/c15-12-13(4-2-1-3-5-13)16-8-6-14(7-9-16)17-10-11-18-14/h1-12,15H2
InChIKeyWLYNZRMIBKSHKX-UHFFFAOYSA-N
XLogP1.49
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-piperidin-1-ylcycloheptyl)methanamine
CID 24703148
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanamine
CID 10654304
(1-piperidin-1-ylcyclohexyl)methanamine;hydrochloride
CID 66570693
[1-(1,4-oxazepan-4-yl)cycloheptyl]methanamine
CID 62987612
(1-thiomorpholin-4-ylcyclododecyl)methanamine
CID 29050308
[1-(2-methylmorpholin-4-yl)cyclododecyl]methanamine
CID 43099350
(1-pyrrolidin-1-ylcyclopropyl)methanamine
CID 106660987
[1-(4-ethylpiperazin-1-yl)cycloheptyl]methanamine
CID 24705250
[1-(1-oxo-1,4-thiazinan-4-yl)cyclopentyl]methanamine
CID 82235421
[1-methyl-4-(4-methylpiperazin-1-yl)azepan-4-yl]methanamine
CID 65075564
[1-(4-butan-2-ylpiperazin-1-yl)cyclooctyl]methanamine
CID 62774212
[1-(2-azaspiro[3.4]octan-2-yl)cyclopentyl]methanamine
CID 79677686

Frequently Asked Questions

What is the IUPAC name of [1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexyl]methanamine (CID 35743000) is [1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexyl]methanamine is NCC1(N2CCC3(CC2)OCCO3)CCCCC1.
What is the InChIKey of [1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexyl]methanamine?
The InChIKey is WLYNZRMIBKSHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c15-12-13(4-2-1-3-5-13)16-8-6-14(7-9-16)17-10-11-18-14/h1-12,15H2.
What are the key properties of [1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexyl]methanamine?
[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexyl]methanamine has a molecular weight of 254.37 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)cyclohexyl]methanamine is sourced from PubChem (CID 35743000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).