N-[(3-octyloxolan-3-yl)methyl]cyclopropanamine

C16H31NO — CID 55209222

IUPACN-[(3-octyloxolan-3-yl)methyl]cyclopropanamine
SMILESCCCCCCCCC1(CNC2CC2)CCOC1
InChIInChI=1S/C16H31NO/c1-2-3-4-5-6-7-10-16(11-12-18-14-16)13-17-15-8-9-15/h15,17H,2-14H2,1H3
InChIKeyTZENQQJYNYXPHR-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.90
Rot. Bonds10

About N-[(3-octyloxolan-3-yl)methyl]cyclopropanamine

N-[(3-octyloxolan-3-yl)methyl]cyclopropanamine (PubChem CID 55209222) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[(3-octyloxolan-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-octyloxolan-3-yl)methyl]cyclopropanamine
PubChem CID55209222
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[(3-octyloxolan-3-yl)methyl]cyclopropanamine
SMILESCCCCCCCCC1(CNC2CC2)CCOC1
InChIInChI=1S/C16H31NO/c1-2-3-4-5-6-7-10-16(11-12-18-14-16)13-17-15-8-9-15/h15,17H,2-14H2,1H3
InChIKeyTZENQQJYNYXPHR-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(3-octyloxolan-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-octyloxolan-3-yl)methyl]cyclopropanamine (CID 55209222) is N-[(3-octyloxolan-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-octyloxolan-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-octyloxolan-3-yl)methyl]cyclopropanamine is CCCCCCCCC1(CNC2CC2)CCOC1.
What is the InChIKey of N-[(3-octyloxolan-3-yl)methyl]cyclopropanamine?
The InChIKey is TZENQQJYNYXPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-2-3-4-5-6-7-10-16(11-12-18-14-16)13-17-15-8-9-15/h15,17H,2-14H2,1H3.
What are the key properties of N-[(3-octyloxolan-3-yl)methyl]cyclopropanamine?
N-[(3-octyloxolan-3-yl)methyl]cyclopropanamine has a molecular weight of 253.43 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-octyloxolan-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 55209222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).