(E)-1-octoxyprop-1-en-1-amine

C11H23NO — CID 140692323

IUPAC(E)-1-octoxyprop-1-en-1-amine
SMILESC/C=C(\N)OCCCCCCCC
InChIInChI=1S/C11H23NO/c1-3-5-6-7-8-9-10-13-11(12)4-2/h4H,3,5-10,12H2,1-2H3/b11-4+
InChIKeyOWJABVFPVZFDTI-NYYWCZLTSA-N
MW185.31 g/mol
LogP3.18
Rot. Bonds8

About (E)-1-octoxyprop-1-en-1-amine

(E)-1-octoxyprop-1-en-1-amine (PubChem CID 140692323) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (E)-1-octoxyprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-1-octoxyprop-1-en-1-amine
PubChem CID140692323
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(E)-1-octoxyprop-1-en-1-amine
SMILESC/C=C(\N)OCCCCCCCC
InChIInChI=1S/C11H23NO/c1-3-5-6-7-8-9-10-13-11(12)4-2/h4H,3,5-10,12H2,1-2H3/b11-4+
InChIKeyOWJABVFPVZFDTI-NYYWCZLTSA-N
XLogP3.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(E)-1-decoxyprop-1-en-1-amine
CID 88696659
4-O-hexyl 1-O-pentyl (E)-but-2-enedioate
CID 91709768
dioctyl but-2-enedioate
CID 18011
dihexyl (Z)-but-2-enedioate
CID 5271573
didodecyl (Z)-but-2-enedioate
CID 5354846
diundecyl (Z)-but-2-enedioate
CID 5354455
4-O-decyl 1-O-heptyl (E)-but-2-enedioate
CID 91693346
dodecyl (E)-but-2-enoate
CID 5462914
heptyl (Z)-4-amino-4-oxobut-2-enoate
CID 139644348
hexyl 2-aminobut-2-enoate
CID 141223654
dodecyl 2-aminobut-2-enoate
CID 154120313
octacosyl carbamate
CID 160925840

Frequently Asked Questions

What is the IUPAC name of (E)-1-octoxyprop-1-en-1-amine?
The IUPAC name of (E)-1-octoxyprop-1-en-1-amine (CID 140692323) is (E)-1-octoxyprop-1-en-1-amine.
What is the SMILES notation for (E)-1-octoxyprop-1-en-1-amine?
The canonical SMILES for (E)-1-octoxyprop-1-en-1-amine is C/C=C(\N)OCCCCCCCC.
What is the InChIKey of (E)-1-octoxyprop-1-en-1-amine?
The InChIKey is OWJABVFPVZFDTI-NYYWCZLTSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-5-6-7-8-9-10-13-11(12)4-2/h4H,3,5-10,12H2,1-2H3/b11-4+.
What are the key properties of (E)-1-octoxyprop-1-en-1-amine?
(E)-1-octoxyprop-1-en-1-amine has a molecular weight of 185.31 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-octoxyprop-1-en-1-amine is sourced from PubChem (CID 140692323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).