N,N-diethylnona-3,8-dien-3-amine

C13H25N — CID 91026439

IUPACN,N-diethylnona-3,8-dien-3-amine
SMILESC=CCCCC=C(CC)N(CC)CC
InChIInChI=1S/C13H25N/c1-5-9-10-11-12-13(6-2)14(7-3)8-4/h5,12H,1,6-11H2,2-4H3
InChIKeyXSHJFOUBVQGFIB-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.98
Rot. Bonds8

About N,N-diethylnona-3,8-dien-3-amine

N,N-diethylnona-3,8-dien-3-amine (PubChem CID 91026439) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N,N-diethylnona-3,8-dien-3-amine.

Molecular Properties

Compound NameN,N-diethylnona-3,8-dien-3-amine
PubChem CID91026439
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN,N-diethylnona-3,8-dien-3-amine
SMILESC=CCCCC=C(CC)N(CC)CC
InChIInChI=1S/C13H25N/c1-5-9-10-11-12-13(6-2)14(7-3)8-4/h5,12H,1,6-11H2,2-4H3
InChIKeyXSHJFOUBVQGFIB-UHFFFAOYSA-N
XLogP3.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylnona-3,8-dien-3-amine?
The IUPAC name of N,N-diethylnona-3,8-dien-3-amine (CID 91026439) is N,N-diethylnona-3,8-dien-3-amine.
What is the SMILES notation for N,N-diethylnona-3,8-dien-3-amine?
The canonical SMILES for N,N-diethylnona-3,8-dien-3-amine is C=CCCCC=C(CC)N(CC)CC.
What is the InChIKey of N,N-diethylnona-3,8-dien-3-amine?
The InChIKey is XSHJFOUBVQGFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-5-9-10-11-12-13(6-2)14(7-3)8-4/h5,12H,1,6-11H2,2-4H3.
What are the key properties of N,N-diethylnona-3,8-dien-3-amine?
N,N-diethylnona-3,8-dien-3-amine has a molecular weight of 195.35 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylnona-3,8-dien-3-amine is sourced from PubChem (CID 91026439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).