N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]octan-1-amine

C22H43NO — CID 19040156

IUPACN-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]octan-1-amine
SMILESCCCCCCCCNCC1COC2(CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C22H43NO/c1-5-6-7-8-9-10-15-23-17-19-16-22(24-18-19)13-11-20(12-14-22)21(2,3)4/h19-20,23H,5-18H2,1-4H3
InChIKeyUQCHEPHMKAHGLC-UHFFFAOYSA-N
MW337.59 g/mol
LogP5.95
Rot. Bonds9

About N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]octan-1-amine

N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]octan-1-amine (PubChem CID 19040156) has the molecular formula C22H43NO and a molecular weight of 337.59 g/mol. Its IUPAC name is N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]octan-1-amine.

Molecular Properties

Compound NameN-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]octan-1-amine
PubChem CID19040156
Molecular FormulaC22H43NO
Molecular Weight337.59 g/mol
Exact Mass337.33
IUPAC NameN-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]octan-1-amine
SMILESCCCCCCCCNCC1COC2(CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C22H43NO/c1-5-6-7-8-9-10-15-23-17-19-16-22(24-18-19)13-11-20(12-14-22)21(2,3)4/h19-20,23H,5-18H2,1-4H3
InChIKeyUQCHEPHMKAHGLC-UHFFFAOYSA-N
XLogP5.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.59
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-t-Butyl-3-cyclohexylaminomethyl-1-oxaspiro-(4,5)decane
CID 19040153
8-t-Butyl-3-aminomethyl-1-oxaspiro(4,5)decane
CID 19040151
3-Hept-4-ylamino-8-t-butyl-1-oxaspiro(4,5)-decane
CID 19040152
8-t-Butyl-3-cyclohexylaminoethyl-1-oxaspiro(4,5)decane
CID 19040158
2-(8-Tert-butyl-1-oxaspiro[4.5]decan-3-yl)ethanamine
CID 19040161
N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]hexan-1-amine
CID 19040162
N-butyl-8-tert-butyl-1-oxaspiro[4.5]decan-3-amine
CID 21899954
4-Cyclohexyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine
CID 23388597
N-butyl-8-(2-methylhexan-2-yl)-1-oxaspiro[4.5]decan-3-amine
CID 69345649
3-(4-Methoxy-1,4-dimethylcyclohexyl)pyrrolidine
CID 91156043
3-[1-(Cyclopropylmethyl)-4-methoxy-4-methylcyclohexyl]pyrrolidine
CID 91249504
3-[1-(2-Cyclopropylethyl)-4-methoxy-4-methylcyclohexyl]pyrrolidine
CID 91277222

Frequently Asked Questions

What is the IUPAC name of N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]octan-1-amine?
The IUPAC name of N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]octan-1-amine (CID 19040156) is N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]octan-1-amine.
What is the SMILES notation for N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]octan-1-amine?
The canonical SMILES for N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]octan-1-amine is CCCCCCCCNCC1COC2(CCC(C(C)(C)C)CC2)C1.
What is the InChIKey of N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]octan-1-amine?
The InChIKey is UQCHEPHMKAHGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO/c1-5-6-7-8-9-10-15-23-17-19-16-22(24-18-19)13-11-20(12-14-22)21(2,3)4/h19-20,23H,5-18H2,1-4H3.
What are the key properties of N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]octan-1-amine?
N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]octan-1-amine has a molecular weight of 337.59 g/mol, XLogP of 5.95, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]octan-1-amine is sourced from PubChem (CID 19040156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).