1-(5-oxaspiro[3.5]nonan-8-yl)-3-propan-2-ylcyclohexan-1-amine

C17H31NO — CID 107450145

IUPAC1-(5-oxaspiro[3.5]nonan-8-yl)-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(N)(C2CCOC3(CCC3)C2)C1
InChIInChI=1S/C17H31NO/c1-13(2)14-5-3-9-17(18,11-14)15-6-10-19-16(12-15)7-4-8-16/h13-15H,3-12,18H2,1-2H3
InChIKeyIMBHJMUDWHFPNF-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.88
Rot. Bonds2

About 1-(5-oxaspiro[3.5]nonan-8-yl)-3-propan-2-ylcyclohexan-1-amine

1-(5-oxaspiro[3.5]nonan-8-yl)-3-propan-2-ylcyclohexan-1-amine (PubChem CID 107450145) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-(5-oxaspiro[3.5]nonan-8-yl)-3-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-oxaspiro[3.5]nonan-8-yl)-3-propan-2-ylcyclohexan-1-amine
PubChem CID107450145
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name1-(5-oxaspiro[3.5]nonan-8-yl)-3-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCCC(N)(C2CCOC3(CCC3)C2)C1
InChIInChI=1S/C17H31NO/c1-13(2)14-5-3-9-17(18,11-14)15-6-10-19-16(12-15)7-4-8-16/h13-15H,3-12,18H2,1-2H3
InChIKeyIMBHJMUDWHFPNF-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

3,4-dimethyl-1-(6-oxaspiro[4.5]decan-9-yl)cyclohexan-1-amine
CID 79913343
1-(1,9-dioxaspiro[5.5]undecan-4-yl)cyclopentan-1-amine
CID 79912406
4-chloro-10-propan-2-yl-1-oxaspiro[5.5]undecane
CID 107450417
9-propan-2-yl-1-oxaspiro[5.6]dodecan-4-ol
CID 65090379
4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-amine
CID 79912522
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-4-propan-2-ylcyclohexan-1-amine
CID 79912985
2-(5-oxaspiro[3.5]nonan-8-yl)-1,3-dihydroinden-2-amine
CID 79912864
2,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)cyclohexan-1-ol
CID 79913866
1-(oxan-3-yl)-4-propan-2-ylcycloheptan-1-amine
CID 107135848
2-(5-oxaspiro[3.5]nonan-8-yl)-3,4-dihydro-1H-naphthalen-2-amine
CID 79908074
cis-(1R,3R)-1-methyl-3-propan-2-ylcyclohexan-1-amine
CID 124680458
1-(6-oxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912854

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)-3-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 1-(5-oxaspiro[3.5]nonan-8-yl)-3-propan-2-ylcyclohexan-1-amine (CID 107450145) is 1-(5-oxaspiro[3.5]nonan-8-yl)-3-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 1-(5-oxaspiro[3.5]nonan-8-yl)-3-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 1-(5-oxaspiro[3.5]nonan-8-yl)-3-propan-2-ylcyclohexan-1-amine is CC(C)C1CCCC(N)(C2CCOC3(CCC3)C2)C1.
What is the InChIKey of 1-(5-oxaspiro[3.5]nonan-8-yl)-3-propan-2-ylcyclohexan-1-amine?
The InChIKey is IMBHJMUDWHFPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-13(2)14-5-3-9-17(18,11-14)15-6-10-19-16(12-15)7-4-8-16/h13-15H,3-12,18H2,1-2H3.
What are the key properties of 1-(5-oxaspiro[3.5]nonan-8-yl)-3-propan-2-ylcyclohexan-1-amine?
1-(5-oxaspiro[3.5]nonan-8-yl)-3-propan-2-ylcyclohexan-1-amine 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 1-(5-oxaspiro[3.5]nonan-8-yl)-3-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 107450145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).