N-ethyl-3-methoxy-N-(piperidin-2-ylmethyl)butan-2-amine

C13H28N2O — CID 106622534

IUPACN-ethyl-3-methoxy-N-(piperidin-2-ylmethyl)butan-2-amine
SMILESCCN(CC1CCCCN1)C(C)C(C)OC
InChIInChI=1S/C13H28N2O/c1-5-15(11(2)12(3)16-4)10-13-8-6-7-9-14-13/h11-14H,5-10H2,1-4H3
InChIKeyAGQKKBLLLKEMDP-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.87
Rot. Bonds6

About N-ethyl-3-methoxy-N-(piperidin-2-ylmethyl)butan-2-amine

N-ethyl-3-methoxy-N-(piperidin-2-ylmethyl)butan-2-amine (PubChem CID 106622534) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-ethyl-3-methoxy-N-(piperidin-2-ylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-N-(piperidin-2-ylmethyl)butan-2-amine
PubChem CID106622534
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-ethyl-3-methoxy-N-(piperidin-2-ylmethyl)butan-2-amine
SMILESCCN(CC1CCCCN1)C(C)C(C)OC
InChIInChI=1S/C13H28N2O/c1-5-15(11(2)12(3)16-4)10-13-8-6-7-9-14-13/h11-14H,5-10H2,1-4H3
InChIKeyAGQKKBLLLKEMDP-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methoxy-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106603489
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 164555849
N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 43265935
methyl 3-[ethyl(piperidin-2-ylmethyl)amino]butanoate
CID 106632589
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
1-cyclobutyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603623
N-ethyl-N-(pyrrolidin-2-ylmethyl)but-3-yn-2-amine
CID 106615574
N-(azepan-2-ylmethyl)-1-cyclopropyl-N-(2-methoxyethyl)ethanamine
CID 64570567
N-ethyl-N-(pyrrolidin-2-ylmethyl)heptan-2-amine
CID 106603679
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pentan-2-amine
CID 106603765
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-N-(piperidin-2-ylmethyl)butan-2-amine?
The IUPAC name of N-ethyl-3-methoxy-N-(piperidin-2-ylmethyl)butan-2-amine (CID 106622534) is N-ethyl-3-methoxy-N-(piperidin-2-ylmethyl)butan-2-amine.
What is the SMILES notation for N-ethyl-3-methoxy-N-(piperidin-2-ylmethyl)butan-2-amine?
The canonical SMILES for N-ethyl-3-methoxy-N-(piperidin-2-ylmethyl)butan-2-amine is CCN(CC1CCCCN1)C(C)C(C)OC.
What is the InChIKey of N-ethyl-3-methoxy-N-(piperidin-2-ylmethyl)butan-2-amine?
The InChIKey is AGQKKBLLLKEMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-5-15(11(2)12(3)16-4)10-13-8-6-7-9-14-13/h11-14H,5-10H2,1-4H3.
What are the key properties of N-ethyl-3-methoxy-N-(piperidin-2-ylmethyl)butan-2-amine?
N-ethyl-3-methoxy-N-(piperidin-2-ylmethyl)butan-2-amine has a molecular weight of 228.38 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-N-(piperidin-2-ylmethyl)butan-2-amine is sourced from PubChem (CID 106622534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).