(E)-N-ethyl-6-methyloct-3-en-1-amine

C11H23N — CID 90061153

IUPAC(E)-N-ethyl-6-methyloct-3-en-1-amine
SMILESCCNCC/C=C/CC(C)CC
InChIInChI=1S/C11H23N/c1-4-11(3)9-7-6-8-10-12-5-2/h6-7,11-12H,4-5,8-10H2,1-3H3/b7-6+
InChIKeyPJURZTXFKCZJJX-VOTSOKGWSA-N
MW169.31 g/mol
LogP2.98
Rot. Bonds7

About (E)-N-ethyl-6-methyloct-3-en-1-amine

(E)-N-ethyl-6-methyloct-3-en-1-amine (PubChem CID 90061153) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (E)-N-ethyl-6-methyloct-3-en-1-amine.

Molecular Properties

Compound Name(E)-N-ethyl-6-methyloct-3-en-1-amine
PubChem CID90061153
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(E)-N-ethyl-6-methyloct-3-en-1-amine
SMILESCCNCC/C=C/CC(C)CC
InChIInChI=1S/C11H23N/c1-4-11(3)9-7-6-8-10-12-5-2/h6-7,11-12H,4-5,8-10H2,1-3H3/b7-6+
InChIKeyPJURZTXFKCZJJX-VOTSOKGWSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (E)-N-ethyl-6-methyloct-3-en-1-amine?
The IUPAC name of (E)-N-ethyl-6-methyloct-3-en-1-amine (CID 90061153) is (E)-N-ethyl-6-methyloct-3-en-1-amine.
What is the SMILES notation for (E)-N-ethyl-6-methyloct-3-en-1-amine?
The canonical SMILES for (E)-N-ethyl-6-methyloct-3-en-1-amine is CCNCC/C=C/CC(C)CC.
What is the InChIKey of (E)-N-ethyl-6-methyloct-3-en-1-amine?
The InChIKey is PJURZTXFKCZJJX-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H23N/c1-4-11(3)9-7-6-8-10-12-5-2/h6-7,11-12H,4-5,8-10H2,1-3H3/b7-6+.
What are the key properties of (E)-N-ethyl-6-methyloct-3-en-1-amine?
(E)-N-ethyl-6-methyloct-3-en-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-6-methyloct-3-en-1-amine is sourced from PubChem (CID 90061153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).