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

C20H37NO — CID 19040153

IUPACN-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]cyclohexanamine
SMILESCC(C)(C)C1CCC2(CC1)CC(CNC1CCCCC1)CO2
InChIInChI=1S/C20H37NO/c1-19(2,3)17-9-11-20(12-10-17)13-16(15-22-20)14-21-18-7-5-4-6-8-18/h16-18,21H,4-15H2,1-3H3
InChIKeyLJYRQVJGKFAPKR-UHFFFAOYSA-N
MW307.52 g/mol
LogP4.92
Rot. Bonds3

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

N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]cyclohexanamine (PubChem CID 19040153) has the molecular formula C20H37NO and a molecular weight of 307.52 g/mol. Its IUPAC name is N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]cyclohexanamine
PubChem CID19040153
Molecular FormulaC20H37NO
Molecular Weight307.52 g/mol
Exact Mass307.29
IUPAC NameN-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]cyclohexanamine
SMILESCC(C)(C)C1CCC2(CC1)CC(CNC1CCCCC1)CO2
InChIInChI=1S/C20H37NO/c1-19(2,3)17-9-11-20(12-10-17)13-16(15-22-20)14-21-18-7-5-4-6-8-18/h16-18,21H,4-15H2,1-3H3
InChIKeyLJYRQVJGKFAPKR-UHFFFAOYSA-N
XLogP4.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.52
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(8-tert-butyl-1-oxaspiro[4.5]decan-2-yl)methyl]cyclohexanamine
CID 14303359
3-Hept-4-ylamino-8-t-butyl-1-oxaspiro(4,5)-decane
CID 19040152
N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]octan-1-amine
CID 19040156
8-t-Butyl-3-cyclohexylaminoethyl-1-oxaspiro(4,5)decane
CID 19040158
N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]hexan-1-amine
CID 19040162
8-t-Butyl-3-cyclohexylaminomethyl-3-hydroxyl-1-oxaspiro(4,5)decane
CID 19040168
N-[[4-(4-tert-butylcyclohexyl)oxolan-2-yl]methyl]cyclohexanamine
CID 19864357
N-pentyl-4-[(4-propylcyclohexyl)methoxy]cyclohexan-1-amine
CID 20516751
N-butyl-8-tert-butyl-1-oxaspiro[4.5]decan-3-amine
CID 21899954
N-butyl-8-(2-methylhexan-2-yl)-1-oxaspiro[4.5]decan-3-amine
CID 69345649
2,2-dicyclohexyl-3-methoxy-N-propan-2-ylpropan-1-amine
CID 139652113
ethane;N-methyl-4-[4-(2-methylbutan-2-yl)cyclohexyl]oxycyclohexan-1-amine
CID 141784986

Frequently Asked Questions

What is the IUPAC name of N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]cyclohexanamine?
The IUPAC name of N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]cyclohexanamine (CID 19040153) is N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]cyclohexanamine?
The canonical SMILES for N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]cyclohexanamine is CC(C)(C)C1CCC2(CC1)CC(CNC1CCCCC1)CO2.
What is the InChIKey of N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]cyclohexanamine?
The InChIKey is LJYRQVJGKFAPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37NO/c1-19(2,3)17-9-11-20(12-10-17)13-16(15-22-20)14-21-18-7-5-4-6-8-18/h16-18,21H,4-15H2,1-3H3.
What are the key properties of N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]cyclohexanamine?
N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]cyclohexanamine has a molecular weight of 307.52 g/mol, XLogP of 4.92, 3 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]cyclohexanamine is sourced from PubChem (CID 19040153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).