N-octa-2,7-dienylocta-2,7-dien-1-amine

C16H27N — CID 54158784

IUPACN-octa-2,7-dienylocta-2,7-dien-1-amine
SMILESC=CCCCC=CCNCC=CCCCC=C
InChIInChI=1S/C16H27N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,11-14,17H,1-2,5-10,15-16H2
InChIKeyOMYMRQBFXXXVDT-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.40
Rot. Bonds12

About N-octa-2,7-dienylocta-2,7-dien-1-amine

N-octa-2,7-dienylocta-2,7-dien-1-amine (PubChem CID 54158784) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-octa-2,7-dienylocta-2,7-dien-1-amine.

Molecular Properties

Compound NameN-octa-2,7-dienylocta-2,7-dien-1-amine
PubChem CID54158784
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-octa-2,7-dienylocta-2,7-dien-1-amine
SMILESC=CCCCC=CCNCC=CCCCC=C
InChIInChI=1S/C16H27N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,11-14,17H,1-2,5-10,15-16H2
InChIKeyOMYMRQBFXXXVDT-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
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-octa-2,7-dienylocta-2,7-dien-1-amine?
The IUPAC name of N-octa-2,7-dienylocta-2,7-dien-1-amine (CID 54158784) is N-octa-2,7-dienylocta-2,7-dien-1-amine.
What is the SMILES notation for N-octa-2,7-dienylocta-2,7-dien-1-amine?
The canonical SMILES for N-octa-2,7-dienylocta-2,7-dien-1-amine is C=CCCCC=CCNCC=CCCCC=C.
What is the InChIKey of N-octa-2,7-dienylocta-2,7-dien-1-amine?
The InChIKey is OMYMRQBFXXXVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-4,11-14,17H,1-2,5-10,15-16H2.
What are the key properties of N-octa-2,7-dienylocta-2,7-dien-1-amine?
N-octa-2,7-dienylocta-2,7-dien-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.40, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octa-2,7-dienylocta-2,7-dien-1-amine is sourced from PubChem (CID 54158784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).