N-methyl-1-[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine

C17H31NO — CID 81027223

IUPACN-methyl-1-[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
SMILESCNCC1CCCCC1C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H31NO/c1-18-13-15-6-2-3-7-16(15)14-8-11-19-17(12-14)9-4-5-10-17/h14-16,18H,2-13H2,1H3
InChIKeyUMMOMCXYFWAUDT-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.75
Rot. Bonds3

About N-methyl-1-[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine

N-methyl-1-[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine (PubChem CID 81027223) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is N-methyl-1-[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
PubChem CID81027223
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC NameN-methyl-1-[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
SMILESCNCC1CCCCC1C1CCOC2(CCCC2)C1
InChIInChI=1S/C17H31NO/c1-18-13-15-6-2-3-7-16(15)14-8-11-19-17(12-14)9-4-5-10-17/h14-16,18H,2-13H2,1H3
InChIKeyUMMOMCXYFWAUDT-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)cyclopentyl]methanamine
CID 81034755
N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methyl]propan-2-amine
CID 81027844
[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
CID 81011233
N-[[2-(6-oxaspiro[4.5]decan-9-yl)cyclobutyl]methyl]propan-2-amine
CID 81018268
1-[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81033462
N-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-amine
CID 79920797
2-(6-oxaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine
CID 79920486
N-[[2-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclohexyl]methyl]ethanamine
CID 81027990
N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]propan-2-amine
CID 81034352
1-(2-cyclohexylcycloheptyl)-N-methylmethanamine
CID 81025955
N-[[2-(2,6-dioxaspiro[4.5]decan-9-yl)cyclopentyl]methyl]cyclopropanamine
CID 81027515
1-(2-cyclohexylcyclopentyl)-N-methylmethanamine
CID 81033950

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine?
The IUPAC name of N-methyl-1-[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine (CID 81027223) is N-methyl-1-[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine.
What is the SMILES notation for N-methyl-1-[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine?
The canonical SMILES for N-methyl-1-[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine is CNCC1CCCCC1C1CCOC2(CCCC2)C1.
What is the InChIKey of N-methyl-1-[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine?
The InChIKey is UMMOMCXYFWAUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-18-13-15-6-2-3-7-16(15)14-8-11-19-17(12-14)9-4-5-10-17/h14-16,18H,2-13H2,1H3.
What are the key properties of N-methyl-1-[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine?
N-methyl-1-[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine has a molecular weight of 265.44 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine is sourced from PubChem (CID 81027223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).