N-[[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-2-yl]methyl]propan-1-amine

C17H35N3O — CID 63234318

IUPACN-[[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CN(C)CC2CCN(C)CC2)O1
InChIInChI=1S/C17H35N3O/c1-4-9-18-12-16-5-6-17(21-16)14-20(3)13-15-7-10-19(2)11-8-15/h15-18H,4-14H2,1-3H3
InChIKeySCDNUNVSZRYTIX-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.81
Rot. Bonds8

About N-[[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-2-yl]methyl]propan-1-amine

N-[[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-2-yl]methyl]propan-1-amine (PubChem CID 63234318) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is N-[[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-2-yl]methyl]propan-1-amine
PubChem CID63234318
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC NameN-[[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-2-yl]methyl]propan-1-amine
SMILESCCCNCC1CCC(CN(C)CC2CCN(C)CC2)O1
InChIInChI=1S/C17H35N3O/c1-4-9-18-12-16-5-6-17(21-16)14-20(3)13-15-7-10-19(2)11-8-15/h15-18H,4-14H2,1-3H3
InChIKeySCDNUNVSZRYTIX-UHFFFAOYSA-N
XLogP1.81
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-2-yl]methyl]propan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-methyl-N-[[5-(propylaminomethyl)oxolan-2-yl]methyl]pentan-1-amine
CID 55074744
N-[[5-[[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 63683736
N-methyl-1-(1-methylpiperidin-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 169319670
N-[[5-[[cyclopropylmethyl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62431296
N-[[5-[[methyl(2-methylsulfonylethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 79858503
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylpropane-1,3-diamine
CID 63275954
N,N-dimethyl-N'-propyl-N'-[[5-(propylaminomethyl)oxolan-2-yl]methyl]ethane-1,2-diamine
CID 62436901
N-[[5-[[cyclopropylmethyl(methyl)amino]methyl]oxolan-2-yl]methyl]cyclopropanamine
CID 62427288
N-methyl-1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 176641061
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylbutane-1,4-diamine
CID 63274674
N-[[5-[[(2-chlorophenyl)methyl-methylamino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 62413670
N-[[5-[[propan-2-yl(propyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 55074978

Frequently Asked Questions

What is the IUPAC name of N-[[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-2-yl]methyl]propan-1-amine (CID 63234318) is N-[[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-2-yl]methyl]propan-1-amine is CCCNCC1CCC(CN(C)CC2CCN(C)CC2)O1.
What is the InChIKey of N-[[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is SCDNUNVSZRYTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-4-9-18-12-16-5-6-17(21-16)14-20(3)13-15-7-10-19(2)11-8-15/h15-18H,4-14H2,1-3H3.
What are the key properties of N-[[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-2-yl]methyl]propan-1-amine?
N-[[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 297.49 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 63234318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).