1-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine

C18H35NO — CID 102898990

IUPAC1-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine
SMILESCCCNC(CCC)CCC1CCC2(CCCCC2)O1
InChIInChI=1S/C18H35NO/c1-3-8-16(19-15-4-2)9-10-17-11-14-18(20-17)12-6-5-7-13-18/h16-17,19H,3-15H2,1-2H3
InChIKeyGPZCZDXRMWTYEE-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.82
Rot. Bonds8

About 1-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine

1-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine (PubChem CID 102898990) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 1-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine.

Molecular Properties

Compound Name1-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine
PubChem CID102898990
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name1-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine
SMILESCCCNC(CCC)CCC1CCC2(CCCCC2)O1
InChIInChI=1S/C18H35NO/c1-3-8-16(19-15-4-2)9-10-17-11-14-18(20-17)12-6-5-7-13-18/h16-17,19H,3-15H2,1-2H3
InChIKeyGPZCZDXRMWTYEE-UHFFFAOYSA-N
XLogP4.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(1-oxaspiro[4.4]nonan-2-yl)pentan-3-amine
CID 102898997
N-methyl-1-(1-oxaspiro[4.5]decan-2-yl)heptan-4-amine
CID 102901309
2-methyl-6-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine
CID 102901326
2-butyl-1-oxaspiro[4.5]decane
CID 154513555
2-(3-bromopentyl)-1-oxaspiro[4.5]decane
CID 102899931
2-methyl-1-(1-oxaspiro[4.5]decan-2-yl)-N-propylpentan-3-amine
CID 102899086
1-cyclohexyl-N-propylhexan-3-amine
CID 63400154
N-[1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropyl]ethyl]propan-1-amine
CID 106797949
4-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpentan-2-amine
CID 102899071
2-methyl-4-(1-oxaspiro[4.5]decan-2-yl)butan-1-ol
CID 102901406
2-(3-chloro-4-methylpentyl)-1-oxaspiro[4.4]nonane
CID 102899905
N-methyl-4-(1-oxaspiro[4.4]nonan-2-yl)butan-1-amine
CID 102901285

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine?
The IUPAC name of 1-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine (CID 102898990) is 1-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine.
What is the SMILES notation for 1-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine?
The canonical SMILES for 1-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine is CCCNC(CCC)CCC1CCC2(CCCCC2)O1.
What is the InChIKey of 1-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine?
The InChIKey is GPZCZDXRMWTYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-3-8-16(19-15-4-2)9-10-17-11-14-18(20-17)12-6-5-7-13-18/h16-17,19H,3-15H2,1-2H3.
What are the key properties of 1-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine?
1-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine has a molecular weight of 281.48 g/mol, XLogP of 4.82, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine is sourced from PubChem (CID 102898990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).