(3-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine

C17H31NO — CID 79914646

IUPAC(3-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESCC1CCCC(C(N)C2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C17H31NO/c1-13-5-4-6-14(11-13)16(18)15-7-10-19-17(12-15)8-2-3-9-17/h13-16H,2-12,18H2,1H3
InChIKeyKCZWQMIXYCLWSV-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.88
Rot. Bonds2

About (3-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine

(3-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine (PubChem CID 79914646) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is (3-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine.

Molecular Properties

Compound Name(3-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
PubChem CID79914646
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name(3-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
SMILESCC1CCCC(C(N)C2CCOC3(CCCC3)C2)C1
InChIInChI=1S/C17H31NO/c1-13-5-4-6-14(11-13)16(18)15-7-10-19-17(12-15)8-2-3-9-17/h13-16H,2-12,18H2,1H3
InChIKeyKCZWQMIXYCLWSV-UHFFFAOYSA-N
XLogP3.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,9-dioxaspiro[5.5]undecan-4-yl-(3-methylcyclohexyl)methanamine
CID 79914941
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 79914728
(4,4-dimethylcyclohexyl)-(1-oxaspiro[5.5]undecan-4-yl)methanamine
CID 79910537
6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 105016821
oxan-3-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79911423
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 105010294
(3-methylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 79913976
N-[(3-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]propan-1-amine
CID 79908691
cyclohexyl(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79914524
(1-methoxycyclopentyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 104610599
1,9-dioxaspiro[5.5]undecan-4-yl-(4-methylcyclohexyl)methanamine
CID 79914564
2-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 79915039

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The IUPAC name of (3-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine (CID 79914646) is (3-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine.
What is the SMILES notation for (3-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The canonical SMILES for (3-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine is CC1CCCC(C(N)C2CCOC3(CCCC3)C2)C1.
What is the InChIKey of (3-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
The InChIKey is KCZWQMIXYCLWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-13-5-4-6-14(11-13)16(18)15-7-10-19-17(12-15)8-2-3-9-17/h13-16H,2-12,18H2,1H3.
What are the key properties of (3-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine?
(3-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine has a molecular weight of 265.44 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine is sourced from PubChem (CID 79914646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).