N-ethyl-4,6-dimethylhept-6-en-2-amine

C11H23N — CID 79186327

IUPACN-ethyl-4,6-dimethylhept-6-en-2-amine
SMILESC=C(C)CC(C)CC(C)NCC
InChIInChI=1S/C11H23N/c1-6-12-11(5)8-10(4)7-9(2)3/h10-12H,2,6-8H2,1,3-5H3
InChIKeyQXTHUEJVEFGVPY-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.98
Rot. Bonds6

About N-ethyl-4,6-dimethylhept-6-en-2-amine

N-ethyl-4,6-dimethylhept-6-en-2-amine (PubChem CID 79186327) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-ethyl-4,6-dimethylhept-6-en-2-amine.

Molecular Properties

Compound NameN-ethyl-4,6-dimethylhept-6-en-2-amine
PubChem CID79186327
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-ethyl-4,6-dimethylhept-6-en-2-amine
SMILESC=C(C)CC(C)CC(C)NCC
InChIInChI=1S/C11H23N/c1-6-12-11(5)8-10(4)7-9(2)3/h10-12H,2,6-8H2,1,3-5H3
InChIKeyQXTHUEJVEFGVPY-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,6-dimethylhept-6-en-2-amine?
The IUPAC name of N-ethyl-4,6-dimethylhept-6-en-2-amine (CID 79186327) is N-ethyl-4,6-dimethylhept-6-en-2-amine.
What is the SMILES notation for N-ethyl-4,6-dimethylhept-6-en-2-amine?
The canonical SMILES for N-ethyl-4,6-dimethylhept-6-en-2-amine is C=C(C)CC(C)CC(C)NCC.
What is the InChIKey of N-ethyl-4,6-dimethylhept-6-en-2-amine?
The InChIKey is QXTHUEJVEFGVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-6-12-11(5)8-10(4)7-9(2)3/h10-12H,2,6-8H2,1,3-5H3.
What are the key properties of N-ethyl-4,6-dimethylhept-6-en-2-amine?
N-ethyl-4,6-dimethylhept-6-en-2-amine has a molecular weight of 169.31 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,6-dimethylhept-6-en-2-amine is sourced from PubChem (CID 79186327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).