2-methoxyheptadecan-5-amine

C18H39NO — CID 105138558

IUPAC2-methoxyheptadecan-5-amine
SMILESCCCCCCCCCCCCC(N)CCC(C)OC
InChIInChI=1S/C18H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-18(19)16-15-17(2)20-3/h17-18H,4-16,19H2,1-3H3
InChIKeyZMBCXOYDTHVWPK-UHFFFAOYSA-N
MW285.52 g/mol
LogP5.44
Rot. Bonds15

About 2-methoxyheptadecan-5-amine

2-methoxyheptadecan-5-amine (PubChem CID 105138558) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is 2-methoxyheptadecan-5-amine.

Molecular Properties

Compound Name2-methoxyheptadecan-5-amine
PubChem CID105138558
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC Name2-methoxyheptadecan-5-amine
SMILESCCCCCCCCCCCCC(N)CCC(C)OC
InChIInChI=1S/C18H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-18(19)16-15-17(2)20-3/h17-18H,4-16,19H2,1-3H3
InChIKeyZMBCXOYDTHVWPK-UHFFFAOYSA-N
XLogP5.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.52
LogP ≤ 55.44
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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Related Compounds

pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
2-methoxydodec-11-en-5-amine
CID 107012126
octadecan-9-amine;hydrochloride
CID 19002510
henicosane-8,14-diamine;dihydrochloride
CID 170909168
nonadecane-2,14-diamine
CID 89095951
(4R)-tridecan-4-amine
CID 150614684
icosane-5,10,16-triamine
CID 88870264
2-methoxy-7-methyldecan-5-amine
CID 105138036
(Z)-14-methoxypentadec-7-ene
CID 87205017
9-methoxypentadecan-2-amine
CID 89335213
decan-4-amine;hydrochloride
CID 87728109

Frequently Asked Questions

What is the IUPAC name of 2-methoxyheptadecan-5-amine?
The IUPAC name of 2-methoxyheptadecan-5-amine (CID 105138558) is 2-methoxyheptadecan-5-amine.
What is the SMILES notation for 2-methoxyheptadecan-5-amine?
The canonical SMILES for 2-methoxyheptadecan-5-amine is CCCCCCCCCCCCC(N)CCC(C)OC.
What is the InChIKey of 2-methoxyheptadecan-5-amine?
The InChIKey is ZMBCXOYDTHVWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-18(19)16-15-17(2)20-3/h17-18H,4-16,19H2,1-3H3.
What are the key properties of 2-methoxyheptadecan-5-amine?
2-methoxyheptadecan-5-amine has a molecular weight of 285.52 g/mol, XLogP of 5.44, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyheptadecan-5-amine is sourced from PubChem (CID 105138558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).