1-ethoxy-N-ethylundecan-4-amine

C15H33NO — CID 105124652

IUPAC1-ethoxy-N-ethylundecan-4-amine
SMILESCCCCCCCC(CCCOCC)NCC
InChIInChI=1S/C15H33NO/c1-4-7-8-9-10-12-15(16-5-2)13-11-14-17-6-3/h15-16H,4-14H2,1-3H3
InChIKeyPTSCBJCGFWTEOS-UHFFFAOYSA-N
MW243.43 g/mol
LogP4.14
Rot. Bonds13

About 1-ethoxy-N-ethylundecan-4-amine

1-ethoxy-N-ethylundecan-4-amine (PubChem CID 105124652) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 1-ethoxy-N-ethylundecan-4-amine.

Molecular Properties

Compound Name1-ethoxy-N-ethylundecan-4-amine
PubChem CID105124652
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name1-ethoxy-N-ethylundecan-4-amine
SMILESCCCCCCCC(CCCOCC)NCC
InChIInChI=1S/C15H33NO/c1-4-7-8-9-10-12-15(16-5-2)13-11-14-17-6-3/h15-16H,4-14H2,1-3H3
InChIKeyPTSCBJCGFWTEOS-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 54.14
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

N-ethyltetradecan-7-amine
CID 87847195
N-ethyl-1-methoxypentadecan-4-amine
CID 105055072
N-ethylhexadecan-4-amine
CID 63413885
N-ethyldecan-5-amine
CID 79405026
N-ethyl-6-pentoxyhexan-3-amine
CID 106800895
N-ethyl-1-propoxytridecan-2-amine
CID 105008579
N-ethyl-1-methoxydecan-2-amine
CID 62320563
1-ethoxynonan-4-amine
CID 105129941
N-ethylnonan-3-amine
CID 60996683
N-ethyl-2-methylheptadecan-6-amine
CID 105028964
N-ethyldecan-3-amine;dihydrochloride
CID 175708733
2-(ethylamino)nonan-1-ol
CID 61050713

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-ethylundecan-4-amine?
The IUPAC name of 1-ethoxy-N-ethylundecan-4-amine (CID 105124652) is 1-ethoxy-N-ethylundecan-4-amine.
What is the SMILES notation for 1-ethoxy-N-ethylundecan-4-amine?
The canonical SMILES for 1-ethoxy-N-ethylundecan-4-amine is CCCCCCCC(CCCOCC)NCC.
What is the InChIKey of 1-ethoxy-N-ethylundecan-4-amine?
The InChIKey is PTSCBJCGFWTEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-4-7-8-9-10-12-15(16-5-2)13-11-14-17-6-3/h15-16H,4-14H2,1-3H3.
What are the key properties of 1-ethoxy-N-ethylundecan-4-amine?
1-ethoxy-N-ethylundecan-4-amine has a molecular weight of 243.43 g/mol, XLogP of 4.14, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-ethylundecan-4-amine is sourced from PubChem (CID 105124652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).