N-[[5-(butoxymethyl)oxolan-2-yl]methyl]propan-1-amine

C13H27NO2 — CID 62450434

IUPACN-[[5-(butoxymethyl)oxolan-2-yl]methyl]propan-1-amine
SMILESCCCCOCC1CCC(CNCCC)O1
InChIInChI=1S/C13H27NO2/c1-3-5-9-15-11-13-7-6-12(16-13)10-14-8-4-2/h12-14H,3-11H2,1-2H3
InChIKeyWSSCVMHNANPRPX-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.35
Rot. Bonds9

About N-[[5-(butoxymethyl)oxolan-2-yl]methyl]propan-1-amine

N-[[5-(butoxymethyl)oxolan-2-yl]methyl]propan-1-amine (PubChem CID 62450434) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-[[5-(butoxymethyl)oxolan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-(butoxymethyl)oxolan-2-yl]methyl]propan-1-amine
PubChem CID62450434
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-[[5-(butoxymethyl)oxolan-2-yl]methyl]propan-1-amine
SMILESCCCCOCC1CCC(CNCCC)O1
InChIInChI=1S/C13H27NO2/c1-3-5-9-15-11-13-7-6-12(16-13)10-14-8-4-2/h12-14H,3-11H2,1-2H3
InChIKeyWSSCVMHNANPRPX-UHFFFAOYSA-N
XLogP2.35
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(butoxymethyl)oxolan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-(butoxymethyl)oxolan-2-yl]methyl]propan-1-amine (CID 62450434) is N-[[5-(butoxymethyl)oxolan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-(butoxymethyl)oxolan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-(butoxymethyl)oxolan-2-yl]methyl]propan-1-amine is CCCCOCC1CCC(CNCCC)O1.
What is the InChIKey of N-[[5-(butoxymethyl)oxolan-2-yl]methyl]propan-1-amine?
The InChIKey is WSSCVMHNANPRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-3-5-9-15-11-13-7-6-12(16-13)10-14-8-4-2/h12-14H,3-11H2,1-2H3.
What are the key properties of N-[[5-(butoxymethyl)oxolan-2-yl]methyl]propan-1-amine?
N-[[5-(butoxymethyl)oxolan-2-yl]methyl]propan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.35, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(butoxymethyl)oxolan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62450434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).