N-methyl-8-(3-octyloxiran-2-yl)octan-1-amine

C19H39NO — CID 23344082

IUPACN-methyl-8-(3-octyloxiran-2-yl)octan-1-amine
SMILESCCCCCCCCC1OC1CCCCCCCCNC
InChIInChI=1S/C19H39NO/c1-3-4-5-6-9-12-15-18-19(21-18)16-13-10-7-8-11-14-17-20-2/h18-20H,3-17H2,1-2H3
InChIKeyWQUGSVIHJISKGO-UHFFFAOYSA-N
MW297.53 g/mol
LogP5.45
Rot. Bonds16

About N-methyl-8-(3-octyloxiran-2-yl)octan-1-amine

N-methyl-8-(3-octyloxiran-2-yl)octan-1-amine (PubChem CID 23344082) has the molecular formula C19H39NO and a molecular weight of 297.53 g/mol. Its IUPAC name is N-methyl-8-(3-octyloxiran-2-yl)octan-1-amine.

Molecular Properties

Compound NameN-methyl-8-(3-octyloxiran-2-yl)octan-1-amine
PubChem CID23344082
Molecular FormulaC19H39NO
Molecular Weight297.53 g/mol
Exact Mass297.30
IUPAC NameN-methyl-8-(3-octyloxiran-2-yl)octan-1-amine
SMILESCCCCCCCCC1OC1CCCCCCCCNC
InChIInChI=1S/C19H39NO/c1-3-4-5-6-9-12-15-18-19(21-18)16-13-10-7-8-11-14-17-20-2/h18-20H,3-17H2,1-2H3
InChIKeyWQUGSVIHJISKGO-UHFFFAOYSA-N
XLogP5.45
TPSA24.56 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.53
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-8-(3-octyloxiran-2-yl)octan-1-amine?
The IUPAC name of N-methyl-8-(3-octyloxiran-2-yl)octan-1-amine (CID 23344082) is N-methyl-8-(3-octyloxiran-2-yl)octan-1-amine.
What is the SMILES notation for N-methyl-8-(3-octyloxiran-2-yl)octan-1-amine?
The canonical SMILES for N-methyl-8-(3-octyloxiran-2-yl)octan-1-amine is CCCCCCCCC1OC1CCCCCCCCNC.
What is the InChIKey of N-methyl-8-(3-octyloxiran-2-yl)octan-1-amine?
The InChIKey is WQUGSVIHJISKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO/c1-3-4-5-6-9-12-15-18-19(21-18)16-13-10-7-8-11-14-17-20-2/h18-20H,3-17H2,1-2H3.
What are the key properties of N-methyl-8-(3-octyloxiran-2-yl)octan-1-amine?
N-methyl-8-(3-octyloxiran-2-yl)octan-1-amine has a molecular weight of 297.53 g/mol, XLogP of 5.45, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-(3-octyloxiran-2-yl)octan-1-amine is sourced from PubChem (CID 23344082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).