(Z)-1-ethoxy-7-methyloct-5-en-4-amine

C11H23NO — CID 146227712

IUPAC(Z)-1-ethoxy-7-methyloct-5-en-4-amine
SMILESCCOCCCC(N)/C=C\C(C)C
InChIInChI=1S/C11H23NO/c1-4-13-9-5-6-11(12)8-7-10(2)3/h7-8,10-11H,4-6,9,12H2,1-3H3/b8-7-
InChIKeyILPPTINDLVLAPH-FPLPWBNLSA-N
MW185.31 g/mol
LogP2.34
Rot. Bonds7

About (Z)-1-ethoxy-7-methyloct-5-en-4-amine

(Z)-1-ethoxy-7-methyloct-5-en-4-amine (PubChem CID 146227712) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (Z)-1-ethoxy-7-methyloct-5-en-4-amine.

Molecular Properties

Compound Name(Z)-1-ethoxy-7-methyloct-5-en-4-amine
PubChem CID146227712
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(Z)-1-ethoxy-7-methyloct-5-en-4-amine
SMILESCCOCCCC(N)/C=C\C(C)C
InChIInChI=1S/C11H23NO/c1-4-13-9-5-6-11(12)8-7-10(2)3/h7-8,10-11H,4-6,9,12H2,1-3H3/b8-7-
InChIKeyILPPTINDLVLAPH-FPLPWBNLSA-N
XLogP2.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-ethoxy-7-methyloct-5-en-4-amine?
The IUPAC name of (Z)-1-ethoxy-7-methyloct-5-en-4-amine (CID 146227712) is (Z)-1-ethoxy-7-methyloct-5-en-4-amine.
What is the SMILES notation for (Z)-1-ethoxy-7-methyloct-5-en-4-amine?
The canonical SMILES for (Z)-1-ethoxy-7-methyloct-5-en-4-amine is CCOCCCC(N)/C=C\C(C)C.
What is the InChIKey of (Z)-1-ethoxy-7-methyloct-5-en-4-amine?
The InChIKey is ILPPTINDLVLAPH-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-13-9-5-6-11(12)8-7-10(2)3/h7-8,10-11H,4-6,9,12H2,1-3H3/b8-7-.
What are the key properties of (Z)-1-ethoxy-7-methyloct-5-en-4-amine?
(Z)-1-ethoxy-7-methyloct-5-en-4-amine has a molecular weight of 185.31 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-ethoxy-7-methyloct-5-en-4-amine is sourced from PubChem (CID 146227712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).