N-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]propan-2-amine

C17H35NO2 — CID 62456636

IUPACN-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]propan-2-amine
SMILESCCCCCCC(C)OCC1CCC(CNC(C)C)O1
InChIInChI=1S/C17H35NO2/c1-5-6-7-8-9-15(4)19-13-17-11-10-16(20-17)12-18-14(2)3/h14-18H,5-13H2,1-4H3
InChIKeyPQVZGZPCLTZXHO-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.91
Rot. Bonds11

About N-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]propan-2-amine

N-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]propan-2-amine (PubChem CID 62456636) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is N-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]propan-2-amine
PubChem CID62456636
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC NameN-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]propan-2-amine
SMILESCCCCCCC(C)OCC1CCC(CNC(C)C)O1
InChIInChI=1S/C17H35NO2/c1-5-6-7-8-9-15(4)19-13-17-11-10-16(20-17)12-18-14(2)3/h14-18H,5-13H2,1-4H3
InChIKeyPQVZGZPCLTZXHO-UHFFFAOYSA-N
XLogP3.91
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]propan-2-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-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]ethanamine
CID 62456442
N-[[5-(2-ethoxyethoxymethyl)oxolan-2-yl]methyl]propan-2-amine
CID 62446409
N-(cyclohexylmethyl)-2-octan-2-yloxyethanamine
CID 55194759
4-octan-2-yloxy-N-propan-2-ylbutan-1-amine
CID 55133286
N-(cyclobutylmethyl)octan-2-amine
CID 43298239
2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane
CID 101275367
N-(cyclopentylmethyl)-2-octan-2-yloxyacetamide
CID 91095079
N-[[5-(hexoxymethyl)oxolan-2-yl]methyl]ethanamine
CID 55077566
N-[[5-(3,3,3-trifluoropropoxymethyl)oxolan-2-yl]methyl]propan-2-amine
CID 82958605
N-[[5-[(2-ethylphenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62486972
N-[[5-[[ethyl(methyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62419141
(2R)-N-[[(2S)-oxolan-2-yl]methyl]octan-2-amine
CID 28879278

Frequently Asked Questions

What is the IUPAC name of N-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]propan-2-amine (CID 62456636) is N-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]propan-2-amine is CCCCCCC(C)OCC1CCC(CNC(C)C)O1.
What is the InChIKey of N-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]propan-2-amine?
The InChIKey is PQVZGZPCLTZXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-5-6-7-8-9-15(4)19-13-17-11-10-16(20-17)12-18-14(2)3/h14-18H,5-13H2,1-4H3.
What are the key properties of N-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]propan-2-amine?
N-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]propan-2-amine has a molecular weight of 285.47 g/mol, XLogP of 3.91, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(octan-2-yloxymethyl)oxolan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62456636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).