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

C15H31N3O — CID 103059892

IUPACN-methyl-3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-4-amine
SMILESCNC1CCOCC1CN1CCN(CC(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-13(2)10-17-5-7-18(8-6-17)11-14-12-19-9-4-15(14)16-3/h13-16H,4-12H2,1-3H3
InChIKeyXJRUHTLNAQDDAO-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.88
Rot. Bonds5

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

N-methyl-3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-4-amine (PubChem CID 103059892) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is N-methyl-3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-methyl-3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-4-amine
PubChem CID103059892
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC NameN-methyl-3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-4-amine
SMILESCNC1CCOCC1CN1CCN(CC(C)C)CC1
InChIInChI=1S/C15H31N3O/c1-13(2)10-17-5-7-18(8-6-17)11-14-12-19-9-4-15(14)16-3/h13-16H,4-12H2,1-3H3
InChIKeyXJRUHTLNAQDDAO-UHFFFAOYSA-N
XLogP0.88
TPSA27.74 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 ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine
CID 66246969
N-methyl-3-[(4-methylpiperidin-1-yl)methyl]oxan-4-amine
CID 103058323
N,4-dimethyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclohexan-1-amine
CID 62775719
N-ethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine
CID 66258964
N-methyl-3-(2-methylpropyl)oxan-4-amine
CID 106469078
3-[(1,1-dioxo-1,4-thiazepan-4-yl)methyl]-N-methyloxan-4-amine
CID 114083724
3-(1,3-dihydroisoindol-2-ylmethyl)-N-methyloxan-4-amine
CID 103059029
N-methyl-3-[(2-methylthiomorpholin-4-yl)methyl]oxan-4-amine
CID 103060877
4-(azocan-1-ylmethyl)-N-methyloxolan-3-amine
CID 66246956
4-[(4-cyclopentylpiperazin-1-yl)methyl]-N-methyloxolan-3-amine
CID 66246567
N-methyl-3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxan-4-amine
CID 103058880
1-(cyclopropylmethyl)-4-(2-methylpropyl)piperazine
CID 59603480

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-4-amine?
The IUPAC name of N-methyl-3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-4-amine (CID 103059892) is N-methyl-3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-4-amine.
What is the SMILES notation for N-methyl-3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-4-amine?
The canonical SMILES for N-methyl-3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-4-amine is CNC1CCOCC1CN1CCN(CC(C)C)CC1.
What is the InChIKey of N-methyl-3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-4-amine?
The InChIKey is XJRUHTLNAQDDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-13(2)10-17-5-7-18(8-6-17)11-14-12-19-9-4-15(14)16-3/h13-16H,4-12H2,1-3H3.
What are the key properties of N-methyl-3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-4-amine?
N-methyl-3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-4-amine has a molecular weight of 269.43 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxan-4-amine is sourced from PubChem (CID 103059892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).