hexa-2,3-dien-1-amine

C6H11N — CID 14831561

IUPAChexa-2,3-dien-1-amine
SMILESCCC=C=CCN
InChIInChI=1S/C6H11N/c1-2-3-4-5-6-7/h3,5H,2,6-7H2,1H3
InChIKeyWSZFPTYGLIOTKX-UHFFFAOYSA-N
MW97.16 g/mol
LogP1.07
Rot. Bonds2

About hexa-2,3-dien-1-amine

hexa-2,3-dien-1-amine (PubChem CID 14831561) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is hexa-2,3-dien-1-amine.

Molecular Properties

Compound Namehexa-2,3-dien-1-amine
PubChem CID14831561
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Namehexa-2,3-dien-1-amine
SMILESCCC=C=CCN
InChIInChI=1S/C6H11N/c1-2-3-4-5-6-7/h3,5H,2,6-7H2,1H3
InChIKeyWSZFPTYGLIOTKX-UHFFFAOYSA-N
XLogP1.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of hexa-2,3-dien-1-amine?
The IUPAC name of hexa-2,3-dien-1-amine (CID 14831561) is hexa-2,3-dien-1-amine.
What is the SMILES notation for hexa-2,3-dien-1-amine?
The canonical SMILES for hexa-2,3-dien-1-amine is CCC=C=CCN.
What is the InChIKey of hexa-2,3-dien-1-amine?
The InChIKey is WSZFPTYGLIOTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N/c1-2-3-4-5-6-7/h3,5H,2,6-7H2,1H3.
What are the key properties of hexa-2,3-dien-1-amine?
hexa-2,3-dien-1-amine has a molecular weight of 97.16 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-2,3-dien-1-amine is sourced from PubChem (CID 14831561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).