N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine

C16H29NO — CID 65170310

IUPACN-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(NC2CCCC2)C12CCCCC2
InChIInChI=1S/C16H29NO/c1-2-18-15-12-14(17-13-8-4-5-9-13)16(15)10-6-3-7-11-16/h13-15,17H,2-12H2,1H3
InChIKeyVNRNCBDMTHCYKG-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.65
Rot. Bonds4

About N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine

N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine (PubChem CID 65170310) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine
PubChem CID65170310
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine
SMILESCCOC1CC(NC2CCCC2)C12CCCCC2
InChIInChI=1S/C16H29NO/c1-2-18-15-12-14(17-13-8-4-5-9-13)16(15)10-6-3-7-11-16/h13-15,17H,2-12H2,1H3
InChIKeyVNRNCBDMTHCYKG-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.65
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-(4,4-dimethylcyclohexyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65169451
N-(3-ethoxyspiro[3.4]octan-1-yl)-1-ethylpiperidin-4-amine
CID 64864836
(3R)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine
CID 99630641
(3S)-N-[(1R,3R)-3-ethoxyspiro[3.5]nonan-1-yl]oxolan-3-amine
CID 100627103
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
3-ethoxy-N-(3-methylsulfanylcyclohexyl)spiro[3.3]heptan-1-amine
CID 103921430
N-[(1R)-1-cyclopentylethyl]-3-ethoxyspiro[3.5]nonan-1-amine
CID 81395147

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine?
The IUPAC name of N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine (CID 65170310) is N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine.
What is the SMILES notation for N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine?
The canonical SMILES for N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine is CCOC1CC(NC2CCCC2)C12CCCCC2.
What is the InChIKey of N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine?
The InChIKey is VNRNCBDMTHCYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-2-18-15-12-14(17-13-8-4-5-9-13)16(15)10-6-3-7-11-16/h13-15,17H,2-12H2,1H3.
What are the key properties of N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine?
N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-ethoxyspiro[3.5]nonan-1-amine is sourced from PubChem (CID 65170310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).