N,5,5-trimethylhex-2-yn-1-amine

C9H17N — CID 117265188

IUPACN,5,5-trimethylhex-2-yn-1-amine
SMILESCNCC#CCC(C)(C)C
InChIInChI=1S/C9H17N/c1-9(2,3)7-5-6-8-10-4/h10H,7-8H2,1-4H3
InChIKeyIEIBPHVNGINTCD-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.65
Rot. Bonds1

About N,5,5-trimethylhex-2-yn-1-amine

N,5,5-trimethylhex-2-yn-1-amine (PubChem CID 117265188) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is N,5,5-trimethylhex-2-yn-1-amine.

Molecular Properties

Compound NameN,5,5-trimethylhex-2-yn-1-amine
PubChem CID117265188
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC NameN,5,5-trimethylhex-2-yn-1-amine
SMILESCNCC#CCC(C)(C)C
InChIInChI=1S/C9H17N/c1-9(2,3)7-5-6-8-10-4/h10H,7-8H2,1-4H3
InChIKeyIEIBPHVNGINTCD-UHFFFAOYSA-N
XLogP1.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,5,5-trimethylhex-2-yn-1-amine?
The IUPAC name of N,5,5-trimethylhex-2-yn-1-amine (CID 117265188) is N,5,5-trimethylhex-2-yn-1-amine.
What is the SMILES notation for N,5,5-trimethylhex-2-yn-1-amine?
The canonical SMILES for N,5,5-trimethylhex-2-yn-1-amine is CNCC#CCC(C)(C)C.
What is the InChIKey of N,5,5-trimethylhex-2-yn-1-amine?
The InChIKey is IEIBPHVNGINTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-9(2,3)7-5-6-8-10-4/h10H,7-8H2,1-4H3.
What are the key properties of N,5,5-trimethylhex-2-yn-1-amine?
N,5,5-trimethylhex-2-yn-1-amine has a molecular weight of 139.24 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,5-trimethylhex-2-yn-1-amine is sourced from PubChem (CID 117265188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).