N-(1-cyclopropylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine

C15H27NO — CID 79904199

IUPACN-(1-cyclopropylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCCC(CC1CC1)NC1CCOC2(CCC2)C1
InChIInChI=1S/C15H27NO/c1-2-13(10-12-4-5-12)16-14-6-9-17-15(11-14)7-3-8-15/h12-14,16H,2-11H2,1H3
InChIKeyLAFDKWHTFVLFFQ-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.26
Rot. Bonds5

About N-(1-cyclopropylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine

N-(1-cyclopropylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79904199) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79904199
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC NameN-(1-cyclopropylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine
SMILESCCC(CC1CC1)NC1CCOC2(CCC2)C1
InChIInChI=1S/C15H27NO/c1-2-13(10-12-4-5-12)16-14-6-9-17-15(11-14)7-3-8-15/h12-14,16H,2-11H2,1H3
InChIKeyLAFDKWHTFVLFFQ-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylpropan-2-yl)-1-oxaspiro[5.5]undecan-4-amine
CID 79904048
N-hexan-3-yl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79894816
N-(1-cyclohexylpropyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79899608
1-N,1-N,4-trimethyl-2-N-(5-oxaspiro[3.5]nonan-8-yl)pentane-1,2-diamine
CID 79895591
N-(4-methylhexan-2-yl)-6-oxaspiro[4.5]decan-9-amine
CID 79903303
N-heptan-2-yl-5-oxaspiro[3.5]nonan-8-amine
CID 79895651
1-(4-ethylcyclohexyl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79912030
3-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 83176706
3-methyl-2-(5-oxaspiro[3.5]nonan-8-ylamino)butan-1-ol
CID 79903001
N-[1-(oxan-4-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
CID 103791803
N-(4-propylcyclohexyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895018
N-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine
CID 113263452

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine (CID 79904199) is N-(1-cyclopropylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine is CCC(CC1CC1)NC1CCOC2(CCC2)C1.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is LAFDKWHTFVLFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-2-13(10-12-4-5-12)16-14-6-9-17-15(11-14)7-3-8-15/h12-14,16H,2-11H2,1H3.
What are the key properties of N-(1-cyclopropylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine?
N-(1-cyclopropylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 237.39 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79904199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).