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

C18H35NO — CID 102899086

IUPAC2-methyl-1-(1-oxaspiro[4.5]decan-2-yl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C18H35NO/c1-4-13-19-17(5-2)15(3)14-16-9-12-18(20-16)10-7-6-8-11-18/h15-17,19H,4-14H2,1-3H3
InChIKeyIVGSKGGQHAKWOP-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.67
Rot. Bonds7

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

2-methyl-1-(1-oxaspiro[4.5]decan-2-yl)-N-propylpentan-3-amine (PubChem CID 102899086) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 2-methyl-1-(1-oxaspiro[4.5]decan-2-yl)-N-propylpentan-3-amine.

Molecular Properties

Compound Name2-methyl-1-(1-oxaspiro[4.5]decan-2-yl)-N-propylpentan-3-amine
PubChem CID102899086
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name2-methyl-1-(1-oxaspiro[4.5]decan-2-yl)-N-propylpentan-3-amine
SMILESCCCNC(CC)C(C)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C18H35NO/c1-4-13-19-17(5-2)15(3)14-16-9-12-18(20-16)10-7-6-8-11-18/h15-17,19H,4-14H2,1-3H3
InChIKeyIVGSKGGQHAKWOP-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-(1-oxaspiro[4.5]decan-2-yl)-N-propylpentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylpentan-2-amine
CID 102899071
2-methyl-6-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine
CID 102901326
2-(3-chloro-2-methylbutyl)-1-oxaspiro[4.5]decane
CID 102899907
N-[1-[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclopropyl]ethyl]propan-1-amine
CID 106797949
1-(1-oxaspiro[4.5]decan-2-yl)-N-propylhexan-3-amine
CID 102898990
N-ethyl-4-methyl-5-(1-oxaspiro[4.4]nonan-2-yl)pentan-2-amine
CID 102901359
diethyl 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propanedioate
CID 102899337
N-(2-methylpropyl)-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)pentan-1-amine
CID 102900256
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclopentyl]methyl]propan-2-amine
CID 102900330
N-[[1-(1-oxaspiro[4.5]decan-2-ylmethyl)cyclobutyl]methyl]propan-1-amine
CID 102900416
1-chloro-3-methyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 102900844
2-cyclopentyl-3-(1-oxaspiro[4.4]nonan-2-yl)-N-propan-2-ylpropan-1-amine
CID 102900542

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-oxaspiro[4.5]decan-2-yl)-N-propylpentan-3-amine?
The IUPAC name of 2-methyl-1-(1-oxaspiro[4.5]decan-2-yl)-N-propylpentan-3-amine (CID 102899086) is 2-methyl-1-(1-oxaspiro[4.5]decan-2-yl)-N-propylpentan-3-amine.
What is the SMILES notation for 2-methyl-1-(1-oxaspiro[4.5]decan-2-yl)-N-propylpentan-3-amine?
The canonical SMILES for 2-methyl-1-(1-oxaspiro[4.5]decan-2-yl)-N-propylpentan-3-amine is CCCNC(CC)C(C)CC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-methyl-1-(1-oxaspiro[4.5]decan-2-yl)-N-propylpentan-3-amine?
The InChIKey is IVGSKGGQHAKWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-4-13-19-17(5-2)15(3)14-16-9-12-18(20-16)10-7-6-8-11-18/h15-17,19H,4-14H2,1-3H3.
What are the key properties of 2-methyl-1-(1-oxaspiro[4.5]decan-2-yl)-N-propylpentan-3-amine?
2-methyl-1-(1-oxaspiro[4.5]decan-2-yl)-N-propylpentan-3-amine has a molecular weight of 281.48 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-oxaspiro[4.5]decan-2-yl)-N-propylpentan-3-amine is sourced from PubChem (CID 102899086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).