7-methoxy-3,7-dimethyl-N-(2-piperazin-1-ylethyl)octan-2-amine

C17H37N3O — CID 5130713

IUPAC7-methoxy-3,7-dimethyl-N-(2-piperazin-1-ylethyl)octan-2-amine
SMILESCOC(C)(C)CCCC(C)C(C)NCCN1CCNCC1
InChIInChI=1S/C17H37N3O/c1-15(7-6-8-17(3,4)21-5)16(2)19-11-14-20-12-9-18-10-13-20/h15-16,18-19H,6-14H2,1-5H3
InChIKeyOHMXNUNOZURJCY-UHFFFAOYSA-N
MW299.50 g/mol
LogP2.10
Rot. Bonds10

About 7-methoxy-3,7-dimethyl-N-(2-piperazin-1-ylethyl)octan-2-amine

7-methoxy-3,7-dimethyl-N-(2-piperazin-1-ylethyl)octan-2-amine (PubChem CID 5130713) has the molecular formula C17H37N3O and a molecular weight of 299.50 g/mol. Its IUPAC name is 7-methoxy-3,7-dimethyl-N-(2-piperazin-1-ylethyl)octan-2-amine.

Molecular Properties

Compound Name7-methoxy-3,7-dimethyl-N-(2-piperazin-1-ylethyl)octan-2-amine
PubChem CID5130713
Molecular FormulaC17H37N3O
Molecular Weight299.50 g/mol
Exact Mass299.29
IUPAC Name7-methoxy-3,7-dimethyl-N-(2-piperazin-1-ylethyl)octan-2-amine
SMILESCOC(C)(C)CCCC(C)C(C)NCCN1CCNCC1
InChIInChI=1S/C17H37N3O/c1-15(7-6-8-17(3,4)21-5)16(2)19-11-14-20-12-9-18-10-13-20/h15-16,18-19H,6-14H2,1-5H3
InChIKeyOHMXNUNOZURJCY-UHFFFAOYSA-N
XLogP2.10
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3,7-dimethyl-N-(2-piperazin-1-ylethyl)octan-2-amine?
The IUPAC name of 7-methoxy-3,7-dimethyl-N-(2-piperazin-1-ylethyl)octan-2-amine (CID 5130713) is 7-methoxy-3,7-dimethyl-N-(2-piperazin-1-ylethyl)octan-2-amine.
What is the SMILES notation for 7-methoxy-3,7-dimethyl-N-(2-piperazin-1-ylethyl)octan-2-amine?
The canonical SMILES for 7-methoxy-3,7-dimethyl-N-(2-piperazin-1-ylethyl)octan-2-amine is COC(C)(C)CCCC(C)C(C)NCCN1CCNCC1.
What is the InChIKey of 7-methoxy-3,7-dimethyl-N-(2-piperazin-1-ylethyl)octan-2-amine?
The InChIKey is OHMXNUNOZURJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3O/c1-15(7-6-8-17(3,4)21-5)16(2)19-11-14-20-12-9-18-10-13-20/h15-16,18-19H,6-14H2,1-5H3.
What are the key properties of 7-methoxy-3,7-dimethyl-N-(2-piperazin-1-ylethyl)octan-2-amine?
7-methoxy-3,7-dimethyl-N-(2-piperazin-1-ylethyl)octan-2-amine has a molecular weight of 299.50 g/mol, XLogP of 2.10, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3,7-dimethyl-N-(2-piperazin-1-ylethyl)octan-2-amine is sourced from PubChem (CID 5130713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).