4-methoxy-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pentan-2-amine

C17H37N3O — CID 61241408

IUPAC4-methoxy-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NCC(C(C)C)N1CCN(C)CC1
InChIInChI=1S/C17H37N3O/c1-14(2)16(20-10-8-19(6)9-11-20)13-18-15(3)12-17(4,5)21-7/h14-16,18H,8-13H2,1-7H3
InChIKeyBSORJEWWIOAFDO-UHFFFAOYSA-N
MW299.50 g/mol
LogP2.05
Rot. Bonds8

About 4-methoxy-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pentan-2-amine

4-methoxy-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pentan-2-amine (PubChem CID 61241408) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pentan-2-amine
PubChem CID61241408
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC Name4-methoxy-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pentan-2-amine
SMILESCOC(C)(C)CC(C)NCC(C(C)C)N1CCN(C)CC1
InChIInChI=1S/C17H37N3O/c1-14(2)16(20-10-8-19(6)9-11-20)13-18-15(3)12-17(4,5)21-7/h14-16,18H,8-13H2,1-7H3
InChIKeyBSORJEWWIOAFDO-UHFFFAOYSA-N
XLogP2.05
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pentan-2-amine (CID 61241408) is 4-methoxy-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pentan-2-amine is COC(C)(C)CC(C)NCC(C(C)C)N1CCN(C)CC1.
What is the InChIKey of 4-methoxy-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pentan-2-amine?
The InChIKey is BSORJEWWIOAFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O/c1-14(2)16(20-10-8-19(6)9-11-20)13-18-15(3)12-17(4,5)21-7/h14-16,18H,8-13H2,1-7H3.
What are the key properties of 4-methoxy-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pentan-2-amine?
4-methoxy-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pentan-2-amine has a molecular weight of 299.50 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pentan-2-amine is sourced from PubChem (CID 61241408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).