5-ethyl-4-propyloctan-4-amine;prop-2-enoic acid

C16H33NO2 — CID 173151143

IUPAC5-ethyl-4-propyloctan-4-amine;prop-2-enoic acid
SMILESC=CC(=O)O.CCCC(CC)C(N)(CCC)CCC
InChIInChI=1S/C13H29N.C3H4O2/c1-5-9-12(8-4)13(14,10-6-2)11-7-3;1-2-3(4)5/h12H,5-11,14H2,1-4H3;2H,1H2,(H,4,5)
InChIKeyNOHKGDUFMUYRKK-UHFFFAOYSA-N
MW271.44 g/mol
LogP4.37
Rot. Bonds9

About 5-ethyl-4-propyloctan-4-amine;prop-2-enoic acid

5-ethyl-4-propyloctan-4-amine;prop-2-enoic acid (PubChem CID 173151143) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is 5-ethyl-4-propyloctan-4-amine;prop-2-enoic acid.

Molecular Properties

Compound Name5-ethyl-4-propyloctan-4-amine;prop-2-enoic acid
PubChem CID173151143
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC Name5-ethyl-4-propyloctan-4-amine;prop-2-enoic acid
SMILESC=CC(=O)O.CCCC(CC)C(N)(CCC)CCC
InChIInChI=1S/C13H29N.C3H4O2/c1-5-9-12(8-4)13(14,10-6-2)11-7-3;1-2-3(4)5/h12H,5-11,14H2,1-4H3;2H,1H2,(H,4,5)
InChIKeyNOHKGDUFMUYRKK-UHFFFAOYSA-N
XLogP4.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-amino-5-propyloctan-4-ol
CID 18625026
4-amino-5-propyloctan-4-ol;hydrochloride
CID 173241712
2-ethylhexyl-λ2-stannane;tris(prop-2-enoic acid)
CID 173132844
2,2-bis(hydroxymethyl)propane-1,3-diol;propan-1-ol;tris(prop-2-enoic acid)
CID 172739717
4,5-dipropylpentadecan-4-amine;hydrobromide
CID 175052572
propan-1-ol;tetrakis(prop-2-enoic acid)
CID 158521080
ethanol;prop-2-enoic acid
CID 159350313
tris(prop-2-enoic acid);2,2,3-trimethylpentane
CID 175962971
tetrakis(pentane-1,1-diol);bis(prop-2-enoic acid)
CID 175987497
3-ethyl-2,2-difluorohexanoic acid
CID 53443924
1-hydroxypropyl carbamate;prop-2-enoic acid
CID 87449677
2,2-dimethylbutane;tris(prop-2-enoic acid)
CID 86744534

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-propyloctan-4-amine;prop-2-enoic acid?
The IUPAC name of 5-ethyl-4-propyloctan-4-amine;prop-2-enoic acid (CID 173151143) is 5-ethyl-4-propyloctan-4-amine;prop-2-enoic acid.
What is the SMILES notation for 5-ethyl-4-propyloctan-4-amine;prop-2-enoic acid?
The canonical SMILES for 5-ethyl-4-propyloctan-4-amine;prop-2-enoic acid is C=CC(=O)O.CCCC(CC)C(N)(CCC)CCC.
What is the InChIKey of 5-ethyl-4-propyloctan-4-amine;prop-2-enoic acid?
The InChIKey is NOHKGDUFMUYRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N.C3H4O2/c1-5-9-12(8-4)13(14,10-6-2)11-7-3;1-2-3(4)5/h12H,5-11,14H2,1-4H3;2H,1H2,(H,4,5).
What are the key properties of 5-ethyl-4-propyloctan-4-amine;prop-2-enoic acid?
5-ethyl-4-propyloctan-4-amine;prop-2-enoic acid has a molecular weight of 271.44 g/mol, XLogP of 4.37, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-propyloctan-4-amine;prop-2-enoic acid is sourced from PubChem (CID 173151143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).