Nona-3,5-dien-5-amine

C9H17N — CID 173041910

IUPACnona-3,5-dien-5-amine
SMILESCCCC=C(C=CCC)N
InChIInChI=1S/C9H17N/c1-3-5-7-9(10)8-6-4-2/h5,7-8H,3-4,6,10H2,1-2H3
InChIKeyGJKZKXGMKXHZCM-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.80
Rot. Bonds4

About Nona-3,5-dien-5-amine

Nona-3,5-dien-5-amine (PubChem CID 173041910) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is nona-3,5-dien-5-amine.

Molecular Properties

Compound NameNona-3,5-dien-5-amine
PubChem CID173041910
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Namenona-3,5-dien-5-amine
SMILESCCCC=C(C=CCC)N
InChIInChI=1S/C9H17N/c1-3-5-7-9(10)8-6-4-2/h5,7-8H,3-4,6,10H2,1-2H3
InChIKeyGJKZKXGMKXHZCM-UHFFFAOYSA-N
XLogP2.80
TPSA26.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity123

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Nona-3,5-dien-5-amine?
The IUPAC name of Nona-3,5-dien-5-amine (CID 173041910) is nona-3,5-dien-5-amine.
What is the SMILES notation for Nona-3,5-dien-5-amine?
The canonical SMILES for Nona-3,5-dien-5-amine is CCCC=C(C=CCC)N.
What is the InChIKey of Nona-3,5-dien-5-amine?
The InChIKey is GJKZKXGMKXHZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-3-5-7-9(10)8-6-4-2/h5,7-8H,3-4,6,10H2,1-2H3.
What are the key properties of Nona-3,5-dien-5-amine?
Nona-3,5-dien-5-amine has a molecular weight of 139.24 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Nona-3,5-dien-5-amine is sourced from PubChem (CID 173041910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).