N-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine

C19H35NO — CID 65169451

IUPACN-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(NC2CCC(C)(C)CC2)C12CCCCC2
InChIInChI=1S/C19H35NO/c1-4-21-17-14-16(19(17)10-6-5-7-11-19)20-15-8-12-18(2,3)13-9-15/h15-17,20H,4-14H2,1-3H3
InChIKeyBPXNGGINNMFFQI-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.67
Rot. Bonds4

About N-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine

N-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine (PubChem CID 65169451) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine
PubChem CID65169451
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC NameN-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(NC2CCC(C)(C)CC2)C12CCCCC2
InChIInChI=1S/C19H35NO/c1-4-21-17-14-16(19(17)10-6-5-7-11-19)20-15-8-12-18(2,3)13-9-15/h15-17,20H,4-14H2,1-3H3
InChIKeyBPXNGGINNMFFQI-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclooctyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170708
N-cycloheptyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65168133
N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine
CID 65170310
N-(3-ethoxyspiro[3.4]octan-1-yl)-1-ethylpiperidin-4-amine
CID 64864836
(3S)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine
CID 100627103
(3R)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine
CID 99630641
N-(3-ethoxyspiro[3.4]octan-1-yl)-1-propan-2-ylpiperidin-4-amine
CID 64864609
N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyloxan-4-amine
CID 103910972
3-ethoxy-N-(2-methylcyclopentyl)spiro[3.5]nonan-1-amine
CID 65169819
N-(2-bicyclo[2.2.1]heptanyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65169614
N-[(1R,3R)-3-ethoxyspiro[3.3]heptan-1-yl]-1-propylpiperidin-4-amine
CID 97052854
(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine (CID 65169451) is N-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine is CCOC1CC(NC2CCC(C)(C)CC2)C12CCCCC2.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine?
The InChIKey is BPXNGGINNMFFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c1-4-21-17-14-16(19(17)10-6-5-7-11-19)20-15-8-12-18(2,3)13-9-15/h15-17,20H,4-14H2,1-3H3.
What are the key properties of N-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine?
N-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine is sourced from PubChem (CID 65169451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).