N-(2-methoxyethyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-2-amine

C16H34N2O — CID 55164134

IUPACN-(2-methoxyethyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-2-amine
SMILESCCCC1(CN(CCOC)C(C)CC)CCCNC1
InChIInChI=1S/C16H34N2O/c1-5-8-16(9-7-10-17-13-16)14-18(11-12-19-4)15(3)6-2/h15,17H,5-14H2,1-4H3
InChIKeyKZXOCIOQCRQCCL-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.90
Rot. Bonds9

About N-(2-methoxyethyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-2-amine

N-(2-methoxyethyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-2-amine (PubChem CID 55164134) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-2-amine
PubChem CID55164134
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN-(2-methoxyethyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-2-amine
SMILESCCCC1(CN(CCOC)C(C)CC)CCCNC1
InChIInChI=1S/C16H34N2O/c1-5-8-16(9-7-10-17-13-16)14-18(11-12-19-4)15(3)6-2/h15,17H,5-14H2,1-4H3
InChIKeyKZXOCIOQCRQCCL-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-2-amine?
The IUPAC name of N-(2-methoxyethyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-2-amine (CID 55164134) is N-(2-methoxyethyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-2-amine is CCCC1(CN(CCOC)C(C)CC)CCCNC1.
What is the InChIKey of N-(2-methoxyethyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-2-amine?
The InChIKey is KZXOCIOQCRQCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-5-8-16(9-7-10-17-13-16)14-18(11-12-19-4)15(3)6-2/h15,17H,5-14H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-2-amine?
N-(2-methoxyethyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-2-amine has a molecular weight of 270.46 g/mol, XLogP of 2.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(3-propylpiperidin-3-yl)methyl]butan-2-amine is sourced from PubChem (CID 55164134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).