hex-3-yn-1-amine

C6H11N — CID 21391884

IUPAChex-3-yn-1-amine
SMILESCCC#CCCN
InChIInChI=1S/C6H11N/c1-2-3-4-5-6-7/h2,5-7H2,1H3
InChIKeyBOSJIPJDUDDZAA-UHFFFAOYSA-N
MW97.16 g/mol
LogP0.75
Rot. Bonds1

About hex-3-yn-1-amine

hex-3-yn-1-amine (PubChem CID 21391884) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is hex-3-yn-1-amine.

Molecular Properties

Compound Namehex-3-yn-1-amine
PubChem CID21391884
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Namehex-3-yn-1-amine
SMILESCCC#CCCN
InChIInChI=1S/C6H11N/c1-2-3-4-5-6-7/h2,5-7H2,1H3
InChIKeyBOSJIPJDUDDZAA-UHFFFAOYSA-N
XLogP0.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 50.75
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 hex-3-yn-1-amine?
The IUPAC name of hex-3-yn-1-amine (CID 21391884) is hex-3-yn-1-amine.
What is the SMILES notation for hex-3-yn-1-amine?
The canonical SMILES for hex-3-yn-1-amine is CCC#CCCN.
What is the InChIKey of hex-3-yn-1-amine?
The InChIKey is BOSJIPJDUDDZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-2-3-4-5-6-7/h2,5-7H2,1H3.
What are the key properties of hex-3-yn-1-amine?
hex-3-yn-1-amine has a molecular weight of 97.16 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hex-3-yn-1-amine is sourced from PubChem (CID 21391884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).