2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propylcyclohexan-1-amine

C18H33NO — CID 102899052

IUPAC2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(CC2CCC3(CCCC3)O2)C1
InChIInChI=1S/C18H33NO/c1-2-5-14-6-7-17(19)15(12-14)13-16-8-11-18(20-16)9-3-4-10-18/h14-17H,2-13,19H2,1H3
InChIKeyTUOXUQHMRWLZRJ-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.41
Rot. Bonds4

About 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propylcyclohexan-1-amine

2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propylcyclohexan-1-amine (PubChem CID 102899052) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propylcyclohexan-1-amine
PubChem CID102899052
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)C(CC2CCC3(CCCC3)O2)C1
InChIInChI=1S/C18H33NO/c1-2-5-14-6-7-17(19)15(12-14)13-16-8-11-18(20-16)9-3-4-10-18/h14-17H,2-13,19H2,1H3
InChIKeyTUOXUQHMRWLZRJ-UHFFFAOYSA-N
XLogP4.41
TPSA35.25 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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propylcyclohexan-1-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

3-(1-oxaspiro[4.4]nonan-2-ylmethyl)-N-propylcyclopentan-1-amine
CID 102901303
2-[(2-chloro-5-methylcyclohexyl)methyl]-1-oxaspiro[4.5]decane
CID 102899914
2-butyl-1-oxaspiro[4.5]decane
CID 154513555
2-[(5,5-dimethyloxolan-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 116522604
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-propylcyclohexan-1-amine
CID 66364972
2-heptyl-4-propylcyclohexan-1-amine
CID 63403454
N-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)cycloheptan-1-amine
CID 102899036
N-methyl-3-(1-oxaspiro[4.4]nonan-2-ylmethyl)cycloheptan-1-amine
CID 102901315
1-oxaspiro[4.7]dodecan-2-ylmethanamine
CID 130583709
5-methyl-2-[2-methyl-1-(1-oxaspiro[4.4]nonan-2-yl)propan-2-yl]cyclohexan-1-amine
CID 102901368
2-(propoxymethyl)-4-propylcyclohexan-1-amine
CID 81013169
8-(1-oxaspiro[4.4]nonan-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 102899377

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propylcyclohexan-1-amine?
The IUPAC name of 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propylcyclohexan-1-amine (CID 102899052) is 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propylcyclohexan-1-amine is CCCC1CCC(N)C(CC2CCC3(CCCC3)O2)C1.
What is the InChIKey of 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propylcyclohexan-1-amine?
The InChIKey is TUOXUQHMRWLZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-2-5-14-6-7-17(19)15(12-14)13-16-8-11-18(20-16)9-3-4-10-18/h14-17H,2-13,19H2,1H3.
What are the key properties of 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propylcyclohexan-1-amine?
2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propylcyclohexan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxaspiro[4.4]nonan-2-ylmethyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 102899052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).