N-(3-ethoxyspiro[3.4]octan-1-yl)-4-methylpiperazin-1-amine

C15H29N3O — CID 83009867

IUPACN-(3-ethoxyspiro[3.4]octan-1-yl)-4-methylpiperazin-1-amine
SMILESCCOC1CC(NN2CCN(C)CC2)C12CCCC2
InChIInChI=1S/C15H29N3O/c1-3-19-14-12-13(15(14)6-4-5-7-15)16-18-10-8-17(2)9-11-18/h13-14,16H,3-12H2,1-2H3
InChIKeyRIZYULZXHZDIJT-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.48
Rot. Bonds4

About N-(3-ethoxyspiro[3.4]octan-1-yl)-4-methylpiperazin-1-amine

N-(3-ethoxyspiro[3.4]octan-1-yl)-4-methylpiperazin-1-amine (PubChem CID 83009867) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.4]octan-1-yl)-4-methylpiperazin-1-amine.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.4]octan-1-yl)-4-methylpiperazin-1-amine
PubChem CID83009867
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-(3-ethoxyspiro[3.4]octan-1-yl)-4-methylpiperazin-1-amine
SMILESCCOC1CC(NN2CCN(C)CC2)C12CCCC2
InChIInChI=1S/C15H29N3O/c1-3-19-14-12-13(15(14)6-4-5-7-15)16-18-10-8-17(2)9-11-18/h13-14,16H,3-12H2,1-2H3
InChIKeyRIZYULZXHZDIJT-UHFFFAOYSA-N
XLogP1.48
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,3R)-3-ethoxy-N-methylspiro[3.4]octan-1-amine
CID 95241163
(1R,3S)-3-ethoxy-N-methylspiro[3.4]octan-1-amine;hydrochloride
CID 155906111
3-ethoxy-N-(3-piperidin-1-ylpropyl)spiro[3.4]octan-1-amine
CID 64863091
N-(3-ethoxyspiro[3.4]octan-1-yl)-1-ethylpiperidin-4-amine
CID 64864836
3-ethoxy-N-[(1-methylcyclopentyl)methyl]spiro[3.4]octan-1-amine
CID 64864056
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[3.3]heptan-1-yl)-1,3-dimethylpiperidin-4-amine
CID 115723735
3-ethoxy-N-(2-methylcyclopropyl)spiro[3.3]heptan-1-amine
CID 65294430
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine
CID 65170650
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.4]octan-1-yl)-4-methylpiperazin-1-amine?
The IUPAC name of N-(3-ethoxyspiro[3.4]octan-1-yl)-4-methylpiperazin-1-amine (CID 83009867) is N-(3-ethoxyspiro[3.4]octan-1-yl)-4-methylpiperazin-1-amine.
What is the SMILES notation for N-(3-ethoxyspiro[3.4]octan-1-yl)-4-methylpiperazin-1-amine?
The canonical SMILES for N-(3-ethoxyspiro[3.4]octan-1-yl)-4-methylpiperazin-1-amine is CCOC1CC(NN2CCN(C)CC2)C12CCCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.4]octan-1-yl)-4-methylpiperazin-1-amine?
The InChIKey is RIZYULZXHZDIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-19-14-12-13(15(14)6-4-5-7-15)16-18-10-8-17(2)9-11-18/h13-14,16H,3-12H2,1-2H3.
What are the key properties of N-(3-ethoxyspiro[3.4]octan-1-yl)-4-methylpiperazin-1-amine?
N-(3-ethoxyspiro[3.4]octan-1-yl)-4-methylpiperazin-1-amine has a molecular weight of 267.42 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.4]octan-1-yl)-4-methylpiperazin-1-amine is sourced from PubChem (CID 83009867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).