N,2,6-trimethylhept-5-en-1-amine

C10H21N — CID 146817482

IUPACN,2,6-trimethylhept-5-en-1-amine
SMILESCNCC(C)CCC=C(C)C
InChIInChI=1S/C10H21N/c1-9(2)6-5-7-10(3)8-11-4/h6,10-11H,5,7-8H2,1-4H3
InChIKeySBJSHXHSBTZKQG-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.59
Rot. Bonds5

About N,2,6-trimethylhept-5-en-1-amine

N,2,6-trimethylhept-5-en-1-amine (PubChem CID 146817482) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is N,2,6-trimethylhept-5-en-1-amine.

Molecular Properties

Compound NameN,2,6-trimethylhept-5-en-1-amine
PubChem CID146817482
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC NameN,2,6-trimethylhept-5-en-1-amine
SMILESCNCC(C)CCC=C(C)C
InChIInChI=1S/C10H21N/c1-9(2)6-5-7-10(3)8-11-4/h6,10-11H,5,7-8H2,1-4H3
InChIKeySBJSHXHSBTZKQG-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.59
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,2,6-trimethylhept-5-en-1-amine?
The IUPAC name of N,2,6-trimethylhept-5-en-1-amine (CID 146817482) is N,2,6-trimethylhept-5-en-1-amine.
What is the SMILES notation for N,2,6-trimethylhept-5-en-1-amine?
The canonical SMILES for N,2,6-trimethylhept-5-en-1-amine is CNCC(C)CCC=C(C)C.
What is the InChIKey of N,2,6-trimethylhept-5-en-1-amine?
The InChIKey is SBJSHXHSBTZKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-9(2)6-5-7-10(3)8-11-4/h6,10-11H,5,7-8H2,1-4H3.
What are the key properties of N,2,6-trimethylhept-5-en-1-amine?
N,2,6-trimethylhept-5-en-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethylhept-5-en-1-amine is sourced from PubChem (CID 146817482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).