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

C14H29N3O — CID 66246969

IUPACN-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine
SMILESCNC1COCC1CN1CCN(CC(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-12(2)8-16-4-6-17(7-5-16)9-13-10-18-11-14(13)15-3/h12-15H,4-11H2,1-3H3
InChIKeyGKMYCCXRSXERQJ-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.49
Rot. Bonds5

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

N-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine (PubChem CID 66246969) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is N-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine
PubChem CID66246969
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC NameN-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine
SMILESCNC1COCC1CN1CCN(CC(C)C)CC1
InChIInChI=1S/C14H29N3O/c1-12(2)8-16-4-6-17(7-5-16)9-13-10-18-11-14(13)15-3/h12-15H,4-11H2,1-3H3
InChIKeyGKMYCCXRSXERQJ-UHFFFAOYSA-N
XLogP0.49
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 ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine?
The IUPAC name of N-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine (CID 66246969) is N-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine.
What is the SMILES notation for N-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine?
The canonical SMILES for N-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine is CNC1COCC1CN1CCN(CC(C)C)CC1.
What is the InChIKey of N-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine?
The InChIKey is GKMYCCXRSXERQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-12(2)8-16-4-6-17(7-5-16)9-13-10-18-11-14(13)15-3/h12-15H,4-11H2,1-3H3.
What are the key properties of N-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine?
N-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine has a molecular weight of 255.41 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine is sourced from PubChem (CID 66246969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).