N,N-diethylcyclooctatetraenamine

C12H17N — CID 134994848

IUPACN,N-diethylcyclooctatetraenamine
SMILESCCN(CC)C1=C/C=C\C=C/C=C\1
InChIInChI=1S/C12H17N/c1-3-13(4-2)12-10-8-6-5-7-9-11-12/h5-11H,3-4H2,1-2H3/b6-5-,7-5-,8-6-,9-7-,10-8-,11-9-,12-10+,12-11+
InChIKeyNBKZEFCNMWGVQP-QSYCWFOISA-N
MW175.28 g/mol
LogP2.89
Rot. Bonds3

About N,N-diethylcyclooctatetraenamine

N,N-diethylcyclooctatetraenamine (PubChem CID 134994848) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is N,N-diethylcyclooctatetraenamine.

Molecular Properties

Compound NameN,N-diethylcyclooctatetraenamine
PubChem CID134994848
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC NameN,N-diethylcyclooctatetraenamine
SMILESCCN(CC)C1=C/C=C\C=C/C=C\1
InChIInChI=1S/C12H17N/c1-3-13(4-2)12-10-8-6-5-7-9-11-12/h5-11H,3-4H2,1-2H3/b6-5-,7-5-,8-6-,9-7-,10-8-,11-9-,12-10+,12-11+
InChIKeyNBKZEFCNMWGVQP-QSYCWFOISA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylcyclooctatetraenamine?
The IUPAC name of N,N-diethylcyclooctatetraenamine (CID 134994848) is N,N-diethylcyclooctatetraenamine.
What is the SMILES notation for N,N-diethylcyclooctatetraenamine?
The canonical SMILES for N,N-diethylcyclooctatetraenamine is CCN(CC)C1=C/C=C\C=C/C=C\1.
What is the InChIKey of N,N-diethylcyclooctatetraenamine?
The InChIKey is NBKZEFCNMWGVQP-QSYCWFOISA-N. The full InChI is InChI=1S/C12H17N/c1-3-13(4-2)12-10-8-6-5-7-9-11-12/h5-11H,3-4H2,1-2H3/b6-5-,7-5-,8-6-,9-7-,10-8-,11-9-,12-10+,12-11+.
What are the key properties of N,N-diethylcyclooctatetraenamine?
N,N-diethylcyclooctatetraenamine has a molecular weight of 175.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylcyclooctatetraenamine is sourced from PubChem (CID 134994848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).