(4E,6E,8E)-1-azacycloundeca-4,6,8-trien-6-amine

C10H16N2 — CID 143649858

IUPAC(4E,6E,8E)-1-azacycloundeca-4,6,8-trien-6-amine
SMILESNC1=C/C=C/CCNCC\C=C\1
InChIInChI=1S/C10H16N2/c11-10-6-2-1-4-8-12-9-5-3-7-10/h1-3,6-7,12H,4-5,8-9,11H2/b2-1+,7-3+,10-6+
InChIKeyLKFUBBXEKNGGGL-JJMSRXIKSA-N
MW164.25 g/mol
LogP1.32
Rot. Bonds

About (4E,6E,8E)-1-azacycloundeca-4,6,8-trien-6-amine

(4E,6E,8E)-1-azacycloundeca-4,6,8-trien-6-amine (PubChem CID 143649858) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is (4E,6E,8E)-1-azacycloundeca-4,6,8-trien-6-amine.

Molecular Properties

Compound Name(4E,6E,8E)-1-azacycloundeca-4,6,8-trien-6-amine
PubChem CID143649858
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name(4E,6E,8E)-1-azacycloundeca-4,6,8-trien-6-amine
SMILESNC1=C/C=C/CCNCC\C=C\1
InChIInChI=1S/C10H16N2/c11-10-6-2-1-4-8-12-9-5-3-7-10/h1-3,6-7,12H,4-5,8-9,11H2/b2-1+,7-3+,10-6+
InChIKeyLKFUBBXEKNGGGL-JJMSRXIKSA-N
XLogP1.32
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(4E,8E)-1,2,3,6,7,10-hexahydroazecine
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(1Z,3E,7E)-1,7-dimethylcyclodeca-1,3,7-triene
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Frequently Asked Questions

What is the IUPAC name of (4E,6E,8E)-1-azacycloundeca-4,6,8-trien-6-amine?
The IUPAC name of (4E,6E,8E)-1-azacycloundeca-4,6,8-trien-6-amine (CID 143649858) is (4E,6E,8E)-1-azacycloundeca-4,6,8-trien-6-amine.
What is the SMILES notation for (4E,6E,8E)-1-azacycloundeca-4,6,8-trien-6-amine?
The canonical SMILES for (4E,6E,8E)-1-azacycloundeca-4,6,8-trien-6-amine is NC1=C/C=C/CCNCC\C=C\1.
What is the InChIKey of (4E,6E,8E)-1-azacycloundeca-4,6,8-trien-6-amine?
The InChIKey is LKFUBBXEKNGGGL-JJMSRXIKSA-N. The full InChI is InChI=1S/C10H16N2/c11-10-6-2-1-4-8-12-9-5-3-7-10/h1-3,6-7,12H,4-5,8-9,11H2/b2-1+,7-3+,10-6+.
What are the key properties of (4E,6E,8E)-1-azacycloundeca-4,6,8-trien-6-amine?
(4E,6E,8E)-1-azacycloundeca-4,6,8-trien-6-amine has a molecular weight of 164.25 g/mol, XLogP of 1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E,8E)-1-azacycloundeca-4,6,8-trien-6-amine is sourced from PubChem (CID 143649858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).