N-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2-methylpiperidin-4-amine

C14H30N2O — CID 65049371

IUPACN-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2-methylpiperidin-4-amine
SMILESCCNC1CCN(C(COC)C(C)C)C(C)C1
InChIInChI=1S/C14H30N2O/c1-6-15-13-7-8-16(12(4)9-13)14(10-17-5)11(2)3/h11-15H,6-10H2,1-5H3
InChIKeyAFMLDRVVLKUGCM-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.12
Rot. Bonds6

About N-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2-methylpiperidin-4-amine

N-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2-methylpiperidin-4-amine (PubChem CID 65049371) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2-methylpiperidin-4-amine
PubChem CID65049371
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2-methylpiperidin-4-amine
SMILESCCNC1CCN(C(COC)C(C)C)C(C)C1
InChIInChI=1S/C14H30N2O/c1-6-15-13-7-8-16(12(4)9-13)14(10-17-5)11(2)3/h11-15H,6-10H2,1-5H3
InChIKeyAFMLDRVVLKUGCM-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2-methylpiperidin-4-amine?
The IUPAC name of N-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2-methylpiperidin-4-amine (CID 65049371) is N-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2-methylpiperidin-4-amine.
What is the SMILES notation for N-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2-methylpiperidin-4-amine?
The canonical SMILES for N-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2-methylpiperidin-4-amine is CCNC1CCN(C(COC)C(C)C)C(C)C1.
What is the InChIKey of N-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2-methylpiperidin-4-amine?
The InChIKey is AFMLDRVVLKUGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-6-15-13-7-8-16(12(4)9-13)14(10-17-5)11(2)3/h11-15H,6-10H2,1-5H3.
What are the key properties of N-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2-methylpiperidin-4-amine?
N-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2-methylpiperidin-4-amine has a molecular weight of 242.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methoxy-3-methylbutan-2-yl)-2-methylpiperidin-4-amine is sourced from PubChem (CID 65049371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).