N-[[3-(2-butoxyethyl)oxolan-3-yl]methyl]propan-2-amine

C14H29NO2 — CID 62718846

IUPACN-[[3-(2-butoxyethyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCCCCOCCC1(CNC(C)C)CCOC1
InChIInChI=1S/C14H29NO2/c1-4-5-8-16-9-6-14(7-10-17-12-14)11-15-13(2)3/h13,15H,4-12H2,1-3H3
InChIKeySAXDCOBVNBSCAG-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.60
Rot. Bonds9

About N-[[3-(2-butoxyethyl)oxolan-3-yl]methyl]propan-2-amine

N-[[3-(2-butoxyethyl)oxolan-3-yl]methyl]propan-2-amine (PubChem CID 62718846) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[[3-(2-butoxyethyl)oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(2-butoxyethyl)oxolan-3-yl]methyl]propan-2-amine
PubChem CID62718846
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC NameN-[[3-(2-butoxyethyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCCCCOCCC1(CNC(C)C)CCOC1
InChIInChI=1S/C14H29NO2/c1-4-5-8-16-9-6-14(7-10-17-12-14)11-15-13(2)3/h13,15H,4-12H2,1-3H3
InChIKeySAXDCOBVNBSCAG-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[3-(2-butoxyethyl)oxolan-3-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

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-butoxyethyl)oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(2-butoxyethyl)oxolan-3-yl]methyl]propan-2-amine (CID 62718846) is N-[[3-(2-butoxyethyl)oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(2-butoxyethyl)oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(2-butoxyethyl)oxolan-3-yl]methyl]propan-2-amine is CCCCOCCC1(CNC(C)C)CCOC1.
What is the InChIKey of N-[[3-(2-butoxyethyl)oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is SAXDCOBVNBSCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-5-8-16-9-6-14(7-10-17-12-14)11-15-13(2)3/h13,15H,4-12H2,1-3H3.
What are the key properties of N-[[3-(2-butoxyethyl)oxolan-3-yl]methyl]propan-2-amine?
N-[[3-(2-butoxyethyl)oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 243.39 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-butoxyethyl)oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62718846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).