N-[[4-[(4-methylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine

C14H29N3O — CID 62390933

IUPACN-[[4-[(4-methylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCN(C)CC2)CCOCC1
InChIInChI=1S/C14H29N3O/c1-3-15-12-14(4-10-18-11-5-14)13-17-8-6-16(2)7-9-17/h15H,3-13H2,1-2H3
InChIKeyITUSFXQAIMHGQK-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.64
Rot. Bonds5

About N-[[4-[(4-methylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine

N-[[4-[(4-methylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine (PubChem CID 62390933) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-[[4-[(4-methylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(4-methylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
PubChem CID62390933
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-[[4-[(4-methylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine
SMILESCCNCC1(CN2CCN(C)CC2)CCOCC1
InChIInChI=1S/C14H29N3O/c1-3-15-12-14(4-10-18-11-5-14)13-17-8-6-16(2)7-9-17/h15H,3-13H2,1-2H3
InChIKeyITUSFXQAIMHGQK-UHFFFAOYSA-N
XLogP0.64
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-methylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(4-methylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine (CID 62390933) is N-[[4-[(4-methylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(4-methylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(4-methylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine is CCNCC1(CN2CCN(C)CC2)CCOCC1.
What is the InChIKey of N-[[4-[(4-methylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine?
The InChIKey is ITUSFXQAIMHGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-15-12-14(4-10-18-11-5-14)13-17-8-6-16(2)7-9-17/h15H,3-13H2,1-2H3.
What are the key properties of N-[[4-[(4-methylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine?
N-[[4-[(4-methylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine has a molecular weight of 255.41 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-methylpiperazin-1-yl)methyl]oxan-4-yl]methyl]ethanamine is sourced from PubChem (CID 62390933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).