N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3-dimethylpiperidin-4-amine

C16H30N2O — CID 115723735

IUPACN-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3-dimethylpiperidin-4-amine
SMILESCCOC1CC(NC2CCN(C)CC2C)C12CCC2
InChIInChI=1S/C16H30N2O/c1-4-19-15-10-14(16(15)7-5-8-16)17-13-6-9-18(3)11-12(13)2/h12-15,17H,4-11H2,1-3H3
InChIKeyQYRJQWGBMMERRN-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.26
Rot. Bonds4

About N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3-dimethylpiperidin-4-amine

N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3-dimethylpiperidin-4-amine (PubChem CID 115723735) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3-dimethylpiperidin-4-amine
PubChem CID115723735
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3-dimethylpiperidin-4-amine
SMILESCCOC1CC(NC2CCN(C)CC2C)C12CCC2
InChIInChI=1S/C16H30N2O/c1-4-19-15-10-14(16(15)7-5-8-16)17-13-6-9-18(3)11-12(13)2/h12-15,17H,4-11H2,1-3H3
InChIKeyQYRJQWGBMMERRN-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3-dimethylpiperidin-4-amine?
The IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3-dimethylpiperidin-4-amine (CID 115723735) is N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3-dimethylpiperidin-4-amine is CCOC1CC(NC2CCN(C)CC2C)C12CCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3-dimethylpiperidin-4-amine?
The InChIKey is QYRJQWGBMMERRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-4-19-15-10-14(16(15)7-5-8-16)17-13-6-9-18(3)11-12(13)2/h12-15,17H,4-11H2,1-3H3.
What are the key properties of N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3-dimethylpiperidin-4-amine?
N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3-dimethylpiperidin-4-amine has a molecular weight of 266.43 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.3]heptan-1-yl)-1,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 115723735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).