N-methyl-1-[3-[(4-propylpiperazin-1-yl)methyl]oxan-3-yl]methanamine

C15H31N3O — CID 63741691

IUPACN-methyl-1-[3-[(4-propylpiperazin-1-yl)methyl]oxan-3-yl]methanamine
SMILESCCCN1CCN(CC2(CNC)CCCOC2)CC1
InChIInChI=1S/C15H31N3O/c1-3-6-17-7-9-18(10-8-17)13-15(12-16-2)5-4-11-19-14-15/h16H,3-14H2,1-2H3
InChIKeyVGTLVBZFQPYAJH-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.03
Rot. Bonds6

About N-methyl-1-[3-[(4-propylpiperazin-1-yl)methyl]oxan-3-yl]methanamine

N-methyl-1-[3-[(4-propylpiperazin-1-yl)methyl]oxan-3-yl]methanamine (PubChem CID 63741691) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-methyl-1-[3-[(4-propylpiperazin-1-yl)methyl]oxan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[(4-propylpiperazin-1-yl)methyl]oxan-3-yl]methanamine
PubChem CID63741691
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-methyl-1-[3-[(4-propylpiperazin-1-yl)methyl]oxan-3-yl]methanamine
SMILESCCCN1CCN(CC2(CNC)CCCOC2)CC1
InChIInChI=1S/C15H31N3O/c1-3-6-17-7-9-18(10-8-17)13-15(12-16-2)5-4-11-19-14-15/h16H,3-14H2,1-2H3
InChIKeyVGTLVBZFQPYAJH-UHFFFAOYSA-N
XLogP1.03
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[3-[(4-propylpiperazin-1-yl)methyl]oxan-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[(4-propylpiperazin-1-yl)methyl]oxan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[(4-propylpiperazin-1-yl)methyl]oxan-3-yl]methanamine (CID 63741691) is N-methyl-1-[3-[(4-propylpiperazin-1-yl)methyl]oxan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[(4-propylpiperazin-1-yl)methyl]oxan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[(4-propylpiperazin-1-yl)methyl]oxan-3-yl]methanamine is CCCN1CCN(CC2(CNC)CCCOC2)CC1.
What is the InChIKey of N-methyl-1-[3-[(4-propylpiperazin-1-yl)methyl]oxan-3-yl]methanamine?
The InChIKey is VGTLVBZFQPYAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-6-17-7-9-18(10-8-17)13-15(12-16-2)5-4-11-19-14-15/h16H,3-14H2,1-2H3.
What are the key properties of N-methyl-1-[3-[(4-propylpiperazin-1-yl)methyl]oxan-3-yl]methanamine?
N-methyl-1-[3-[(4-propylpiperazin-1-yl)methyl]oxan-3-yl]methanamine has a molecular weight of 269.43 g/mol, XLogP of 1.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[(4-propylpiperazin-1-yl)methyl]oxan-3-yl]methanamine is sourced from PubChem (CID 63741691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).