nona-1,8-dien-5-amine

C9H17N — CID 11400817

IUPACnona-1,8-dien-5-amine
SMILESC=CCCC(N)CCC=C
InChIInChI=1S/C9H17N/c1-3-5-7-9(10)8-6-4-2/h3-4,9H,1-2,5-8,10H2
InChIKeyMIYXXTLNKNTIMM-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.25
Rot. Bonds6

About nona-1,8-dien-5-amine

nona-1,8-dien-5-amine (PubChem CID 11400817) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is nona-1,8-dien-5-amine.

Molecular Properties

Compound Namenona-1,8-dien-5-amine
PubChem CID11400817
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Namenona-1,8-dien-5-amine
SMILESC=CCCC(N)CCC=C
InChIInChI=1S/C9H17N/c1-3-5-7-9(10)8-6-4-2/h3-4,9H,1-2,5-8,10H2
InChIKeyMIYXXTLNKNTIMM-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of nona-1,8-dien-5-amine?
The IUPAC name of nona-1,8-dien-5-amine (CID 11400817) is nona-1,8-dien-5-amine.
What is the SMILES notation for nona-1,8-dien-5-amine?
The canonical SMILES for nona-1,8-dien-5-amine is C=CCCC(N)CCC=C.
What is the InChIKey of nona-1,8-dien-5-amine?
The InChIKey is MIYXXTLNKNTIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-5-7-9(10)8-6-4-2/h3-4,9H,1-2,5-8,10H2.
What are the key properties of nona-1,8-dien-5-amine?
nona-1,8-dien-5-amine has a molecular weight of 139.24 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nona-1,8-dien-5-amine is sourced from PubChem (CID 11400817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).