2-(6-oxaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine

C18H33NO — CID 79920486

IUPAC2-(6-oxaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1C1CCOC2(CCCC2)C1
InChIInChI=1S/C18H33NO/c1-2-12-19-17-8-4-3-7-16(17)15-9-13-20-18(14-15)10-5-6-11-18/h15-17,19H,2-14H2,1H3
InChIKeyYFXQYJDPDVMBJV-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.28
Rot. Bonds4

About 2-(6-oxaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine

2-(6-oxaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine (PubChem CID 79920486) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-(6-oxaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(6-oxaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine
PubChem CID79920486
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name2-(6-oxaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1C1CCOC2(CCCC2)C1
InChIInChI=1S/C18H33NO/c1-2-12-19-17-8-4-3-7-16(17)15-9-13-20-18(14-15)10-5-6-11-18/h15-17,19H,2-14H2,1H3
InChIKeyYFXQYJDPDVMBJV-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cycloheptan-1-amine
CID 79920797
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylcycloheptan-1-amine
CID 79919575
N-methyl-1-[2-(6-oxaspiro[4.5]decan-9-yl)cyclohexyl]methanamine
CID 81027223
2-(oxan-3-yl)-N-propylcycloheptan-1-amine
CID 107137480
N-[cyclohexyl(6-oxaspiro[4.5]decan-9-yl)methyl]propan-1-amine
CID 79907861
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-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
9-methyl-N-propyl-1-oxaspiro[5.6]dodecan-4-amine
CID 65082535
N-ethyl-3-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine
CID 79923972
2-(3,5-dimethylcyclohexyl)-N-propylcyclohexan-1-amine
CID 64730144
N-[[4-methyl-2-(5-oxaspiro[3.5]nonan-8-yl)cyclohexyl]methyl]cyclopropanamine
CID 81033490

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(6-oxaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine (CID 79920486) is 2-(6-oxaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(6-oxaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(6-oxaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine is CCCNC1CCCCC1C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-(6-oxaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine?
The InChIKey is YFXQYJDPDVMBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-2-12-19-17-8-4-3-7-16(17)15-9-13-20-18(14-15)10-5-6-11-18/h15-17,19H,2-14H2,1H3.
What are the key properties of 2-(6-oxaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine?
2-(6-oxaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxaspiro[4.5]decan-9-yl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 79920486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).