N-(2,4-dimethylcyclohexyl)-3-ethoxyspiro[3.4]octan-1-amine

C18H33NO — CID 64864239

IUPACN-(2,4-dimethylcyclohexyl)-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(NC2CCC(C)CC2C)C12CCCC2
InChIInChI=1S/C18H33NO/c1-4-20-17-12-16(18(17)9-5-6-10-18)19-15-8-7-13(2)11-14(15)3/h13-17,19H,4-12H2,1-3H3
InChIKeyBKHFWHIPZVRZCW-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.14
Rot. Bonds4

About N-(2,4-dimethylcyclohexyl)-3-ethoxyspiro[3.4]octan-1-amine

N-(2,4-dimethylcyclohexyl)-3-ethoxyspiro[3.4]octan-1-amine (PubChem CID 64864239) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is N-(2,4-dimethylcyclohexyl)-3-ethoxyspiro[3.4]octan-1-amine.

Molecular Properties

Compound NameN-(2,4-dimethylcyclohexyl)-3-ethoxyspiro[3.4]octan-1-amine
PubChem CID64864239
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC NameN-(2,4-dimethylcyclohexyl)-3-ethoxyspiro[3.4]octan-1-amine
SMILESCCOC1CC(NC2CCC(C)CC2C)C12CCCC2
InChIInChI=1S/C18H33NO/c1-4-20-17-12-16(18(17)9-5-6-10-18)19-15-8-7-13(2)11-14(15)3/h13-17,19H,4-12H2,1-3H3
InChIKeyBKHFWHIPZVRZCW-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-(2-methylcyclopentyl)spiro[3.5]nonan-1-amine
CID 65169819
3-ethoxy-N-(2-methylcyclopropyl)spiro[3.3]heptan-1-amine
CID 65294430
N-(2,3-dimethylcyclohexyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295084
N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3-dimethylpiperidin-4-amine
CID 115723735
N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168133
N-cyclooctyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170708
N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170310
3-ethoxy-N-(2-propylcyclopropyl)spiro[3.3]heptan-1-amine
CID 103921918
N-(2-bicyclo[2.2.1]heptanyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65169614
3-ethoxy-N-[(4-methylcyclohexyl)methyl]spiro[3.5]nonan-1-amine
CID 65169715
3-ethoxy-N-(2-ethylcyclohexyl)spiro[3.3]heptan-1-amine
CID 65295050
N-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65169451

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylcyclohexyl)-3-ethoxyspiro[3.4]octan-1-amine?
The IUPAC name of N-(2,4-dimethylcyclohexyl)-3-ethoxyspiro[3.4]octan-1-amine (CID 64864239) is N-(2,4-dimethylcyclohexyl)-3-ethoxyspiro[3.4]octan-1-amine.
What is the SMILES notation for N-(2,4-dimethylcyclohexyl)-3-ethoxyspiro[3.4]octan-1-amine?
The canonical SMILES for N-(2,4-dimethylcyclohexyl)-3-ethoxyspiro[3.4]octan-1-amine is CCOC1CC(NC2CCC(C)CC2C)C12CCCC2.
What is the InChIKey of N-(2,4-dimethylcyclohexyl)-3-ethoxyspiro[3.4]octan-1-amine?
The InChIKey is BKHFWHIPZVRZCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-4-20-17-12-16(18(17)9-5-6-10-18)19-15-8-7-13(2)11-14(15)3/h13-17,19H,4-12H2,1-3H3.
What are the key properties of N-(2,4-dimethylcyclohexyl)-3-ethoxyspiro[3.4]octan-1-amine?
N-(2,4-dimethylcyclohexyl)-3-ethoxyspiro[3.4]octan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylcyclohexyl)-3-ethoxyspiro[3.4]octan-1-amine is sourced from PubChem (CID 64864239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).