N-methylnon-8-yn-2-amine

C10H19N — CID 91435283

IUPACN-methylnon-8-yn-2-amine
SMILESC#CCCCCCC(C)NC
InChIInChI=1S/C10H19N/c1-4-5-6-7-8-9-10(2)11-3/h1,10-11H,5-9H2,2-3H3
InChIKeyCSZHYDZISPFBFM-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.18
Rot. Bonds6

About N-methylnon-8-yn-2-amine

N-methylnon-8-yn-2-amine (PubChem CID 91435283) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-methylnon-8-yn-2-amine.

Molecular Properties

Compound NameN-methylnon-8-yn-2-amine
PubChem CID91435283
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-methylnon-8-yn-2-amine
SMILESC#CCCCCCC(C)NC
InChIInChI=1S/C10H19N/c1-4-5-6-7-8-9-10(2)11-3/h1,10-11H,5-9H2,2-3H3
InChIKeyCSZHYDZISPFBFM-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.18
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-methylnon-8-yn-2-amine?
The IUPAC name of N-methylnon-8-yn-2-amine (CID 91435283) is N-methylnon-8-yn-2-amine.
What is the SMILES notation for N-methylnon-8-yn-2-amine?
The canonical SMILES for N-methylnon-8-yn-2-amine is C#CCCCCCC(C)NC.
What is the InChIKey of N-methylnon-8-yn-2-amine?
The InChIKey is CSZHYDZISPFBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-4-5-6-7-8-9-10(2)11-3/h1,10-11H,5-9H2,2-3H3.
What are the key properties of N-methylnon-8-yn-2-amine?
N-methylnon-8-yn-2-amine has a molecular weight of 153.27 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylnon-8-yn-2-amine is sourced from PubChem (CID 91435283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).