N-ethyl-1-propoxytridecan-2-amine

C18H39NO — CID 105008579

IUPACN-ethyl-1-propoxytridecan-2-amine
SMILESCCCCCCCCCCCC(COCCC)NCC
InChIInChI=1S/C18H39NO/c1-4-7-8-9-10-11-12-13-14-15-18(19-6-3)17-20-16-5-2/h18-19H,4-17H2,1-3H3
InChIKeyVTFGOXMDQAMDJE-UHFFFAOYSA-N
MW285.52 g/mol
LogP5.31
Rot. Bonds16

About N-ethyl-1-propoxytridecan-2-amine

N-ethyl-1-propoxytridecan-2-amine (PubChem CID 105008579) has the molecular formula C18H39NO and a molecular weight of 285.52 g/mol. Its IUPAC name is N-ethyl-1-propoxytridecan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-propoxytridecan-2-amine
PubChem CID105008579
Molecular FormulaC18H39NO
Molecular Weight285.52 g/mol
Exact Mass285.30
IUPAC NameN-ethyl-1-propoxytridecan-2-amine
SMILESCCCCCCCCCCCC(COCCC)NCC
InChIInChI=1S/C18H39NO/c1-4-7-8-9-10-11-12-13-14-15-18(19-6-3)17-20-16-5-2/h18-19H,4-17H2,1-3H3
InChIKeyVTFGOXMDQAMDJE-UHFFFAOYSA-N
XLogP5.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.52
LogP ≤ 55.31
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

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CID 62320563
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CID 105209959
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1-ethoxy-N-ethylundecan-4-amine
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N-ethyl-1-pentoxybutan-2-amine
CID 62038519
N-ethylnonan-3-amine
CID 60996683
N-ethylhexadecan-4-amine
CID 63413885
N-ethyl-1-methoxypentadecan-4-amine
CID 105055072
N-ethyldecan-5-amine
CID 79405026
2-(ethylamino)nonan-1-ol
CID 61050713
N-ethyldecan-3-amine;dihydrochloride
CID 175708733
N-ethyl-6-pentoxyhexan-3-amine
CID 106800895

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-propoxytridecan-2-amine?
The IUPAC name of N-ethyl-1-propoxytridecan-2-amine (CID 105008579) is N-ethyl-1-propoxytridecan-2-amine.
What is the SMILES notation for N-ethyl-1-propoxytridecan-2-amine?
The canonical SMILES for N-ethyl-1-propoxytridecan-2-amine is CCCCCCCCCCCC(COCCC)NCC.
What is the InChIKey of N-ethyl-1-propoxytridecan-2-amine?
The InChIKey is VTFGOXMDQAMDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO/c1-4-7-8-9-10-11-12-13-14-15-18(19-6-3)17-20-16-5-2/h18-19H,4-17H2,1-3H3.
What are the key properties of N-ethyl-1-propoxytridecan-2-amine?
N-ethyl-1-propoxytridecan-2-amine has a molecular weight of 285.52 g/mol, XLogP of 5.31, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-propoxytridecan-2-amine is sourced from PubChem (CID 105008579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).