N,2,3-trimethylnon-8-yn-4-amine

C12H23N — CID 105033818

IUPACN,2,3-trimethylnon-8-yn-4-amine
SMILESC#CCCCC(NC)C(C)C(C)C
InChIInChI=1S/C12H23N/c1-6-7-8-9-12(13-5)11(4)10(2)3/h1,10-13H,7-9H2,2-5H3
InChIKeyACLQXTYJSMMIQA-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.67
Rot. Bonds6

About N,2,3-trimethylnon-8-yn-4-amine

N,2,3-trimethylnon-8-yn-4-amine (PubChem CID 105033818) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N,2,3-trimethylnon-8-yn-4-amine.

Molecular Properties

Compound NameN,2,3-trimethylnon-8-yn-4-amine
PubChem CID105033818
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN,2,3-trimethylnon-8-yn-4-amine
SMILESC#CCCCC(NC)C(C)C(C)C
InChIInChI=1S/C12H23N/c1-6-7-8-9-12(13-5)11(4)10(2)3/h1,10-13H,7-9H2,2-5H3
InChIKeyACLQXTYJSMMIQA-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2,3-trimethylnon-8-yn-4-amine?
The IUPAC name of N,2,3-trimethylnon-8-yn-4-amine (CID 105033818) is N,2,3-trimethylnon-8-yn-4-amine.
What is the SMILES notation for N,2,3-trimethylnon-8-yn-4-amine?
The canonical SMILES for N,2,3-trimethylnon-8-yn-4-amine is C#CCCCC(NC)C(C)C(C)C.
What is the InChIKey of N,2,3-trimethylnon-8-yn-4-amine?
The InChIKey is ACLQXTYJSMMIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-6-7-8-9-12(13-5)11(4)10(2)3/h1,10-13H,7-9H2,2-5H3.
What are the key properties of N,2,3-trimethylnon-8-yn-4-amine?
N,2,3-trimethylnon-8-yn-4-amine has a molecular weight of 181.32 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3-trimethylnon-8-yn-4-amine is sourced from PubChem (CID 105033818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).