[3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-3-yl]methanamine

C15H31N3O — CID 63741416

IUPAC[3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-3-yl]methanamine
SMILESCC(C)CN1CCN(CC2(CN)CCCOC2)CC1
InChIInChI=1S/C15H31N3O/c1-14(2)10-17-5-7-18(8-6-17)12-15(11-16)4-3-9-19-13-15/h14H,3-13,16H2,1-2H3
InChIKeyCHTOEUKRHCRUAN-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.02
Rot. Bonds5

About [3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-3-yl]methanamine

[3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-3-yl]methanamine (PubChem CID 63741416) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is [3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-3-yl]methanamine
PubChem CID63741416
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name[3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-3-yl]methanamine
SMILESCC(C)CN1CCN(CC2(CN)CCCOC2)CC1
InChIInChI=1S/C15H31N3O/c1-14(2)10-17-5-7-18(8-6-17)12-15(11-16)4-3-9-19-13-15/h14H,3-13,16H2,1-2H3
InChIKeyCHTOEUKRHCRUAN-UHFFFAOYSA-N
XLogP1.02
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-3-yl]methanamine with MolForge

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Related Compounds

[3-[(4-methoxypiperidin-1-yl)methyl]oxan-3-yl]methanamine
CID 63741360
[3-[(4-butan-2-ylpiperazin-1-yl)methyl]oxolan-3-yl]methanamine
CID 55116578
[3-[(3,4-dimethylpiperazin-1-yl)methyl]oxan-3-yl]methanamine
CID 63740705
3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxane-3-carboxylic acid
CID 63745038
N-[[3-[(4-ethylpiperazin-1-yl)methyl]oxan-3-yl]methyl]propan-2-amine
CID 63742224
N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]propan-2-amine
CID 63740811
N-[[3-(azocan-1-ylmethyl)oxan-3-yl]methyl]propan-2-amine
CID 63740115
2-methyl-N-[[3-(morpholin-4-ylmethyl)oxan-3-yl]methyl]propan-1-amine
CID 55243009
[3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)oxan-3-yl]methanamine
CID 55243601
N-[[3-(aminomethyl)oxan-3-yl]methyl]-N,2-dimethylpropan-1-amine
CID 63740832
[3-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methanamine
CID 106588963
[3-(thiomorpholin-4-ylmethyl)oxolan-3-yl]methanamine
CID 62263069

Frequently Asked Questions

What is the IUPAC name of [3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-3-yl]methanamine?
The IUPAC name of [3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-3-yl]methanamine (CID 63741416) is [3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-3-yl]methanamine.
What is the SMILES notation for [3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-3-yl]methanamine?
The canonical SMILES for [3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-3-yl]methanamine is CC(C)CN1CCN(CC2(CN)CCCOC2)CC1.
What is the InChIKey of [3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-3-yl]methanamine?
The InChIKey is CHTOEUKRHCRUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-14(2)10-17-5-7-18(8-6-17)12-15(11-16)4-3-9-19-13-15/h14H,3-13,16H2,1-2H3.
What are the key properties of [3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-3-yl]methanamine?
[3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-3-yl]methanamine has a molecular weight of 269.43 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-3-yl]methanamine is sourced from PubChem (CID 63741416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).