(1E,3Z,5Z)-N-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]cycloocta-1,3,5-trien-1-amine

C16H19N — CID 87249940

IUPAC(1E,3Z,5Z)-N-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]cycloocta-1,3,5-trien-1-amine
SMILESC1=C\C=C(\N/C2=C/C=C\C=C/CC2)CC\C=C/1
InChIInChI=1S/C16H19N/c1-3-7-11-15(12-8-4-1)17-16-13-9-5-2-6-10-14-16/h1-7,9,11,13,17H,8,10,12,14H2/b4-1-,6-2-,7-3-,9-5-,15-11+,16-13+
InChIKeyCKDSGDLFELYFNY-IQXVCYOSSA-N
MW225.34 g/mol
LogP4.16
Rot. Bonds2

About (1E,3Z,5Z)-N-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]cycloocta-1,3,5-trien-1-amine

(1E,3Z,5Z)-N-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]cycloocta-1,3,5-trien-1-amine (PubChem CID 87249940) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is (1E,3Z,5Z)-N-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]cycloocta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z,5Z)-N-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]cycloocta-1,3,5-trien-1-amine
PubChem CID87249940
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC Name(1E,3Z,5Z)-N-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]cycloocta-1,3,5-trien-1-amine
SMILESC1=C\C=C(\N/C2=C/C=C\C=C/CC2)CC\C=C/1
InChIInChI=1S/C16H19N/c1-3-7-11-15(12-8-4-1)17-16-13-9-5-2-6-10-14-16/h1-7,9,11,13,17H,8,10,12,14H2/b4-1-,6-2-,7-3-,9-5-,15-11+,16-13+
InChIKeyCKDSGDLFELYFNY-IQXVCYOSSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1E,3Z,5Z)-N-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]cycloocta-1,3,5-trien-1-amine with MolForge

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Related Compounds

(1E,3Z,5Z)-N-ethylcycloocta-1,3,5-trien-1-amine
CID 67050806
N-cyclohexa-1,3-dien-1-yl-4-phenylaniline
CID 134504686
N-cycloocta-1,3,5-trien-1-ylcycloocta-3,5-dien-1-imine
CID 123250682
2,5-dichloro-N-cyclohexa-1,3-dien-1-ylpyrimidin-4-amine
CID 143899900
2-N-cyclohexa-1,3-dien-1-yl-4-methylbenzene-1,2-diamine
CID 89086842
2-chloro-4-(cyclohexa-1,3-dien-1-ylamino)pyrimidin-5-ol
CID 144841167
N-butylcyclohexa-1,3-dien-1-amine
CID 144722191
6-(cyclohexa-1,3-dien-1-ylamino)-3a,4-dihydro-2-benzofuran-1,3-dione
CID 122536530
(1Z,3Z,5E,7Z)-cyclodeca-1,3,5,7-tetraene
CID 102481201
(3Z,5E,7E,9E,11Z,13E,15E,17Z)-cycloicosa-1,3,5,7,9,11,13,15,17-nonaene
CID 173020725
cyclohexa-1,3-diene;platinum
CID 160525491
CID 68982251
CID 68982251

Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5Z)-N-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]cycloocta-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z,5Z)-N-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]cycloocta-1,3,5-trien-1-amine (CID 87249940) is (1E,3Z,5Z)-N-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]cycloocta-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z,5Z)-N-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]cycloocta-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z,5Z)-N-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]cycloocta-1,3,5-trien-1-amine is C1=C\C=C(\N/C2=C/C=C\C=C/CC2)CC\C=C/1.
What is the InChIKey of (1E,3Z,5Z)-N-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]cycloocta-1,3,5-trien-1-amine?
The InChIKey is CKDSGDLFELYFNY-IQXVCYOSSA-N. The full InChI is InChI=1S/C16H19N/c1-3-7-11-15(12-8-4-1)17-16-13-9-5-2-6-10-14-16/h1-7,9,11,13,17H,8,10,12,14H2/b4-1-,6-2-,7-3-,9-5-,15-11+,16-13+.
What are the key properties of (1E,3Z,5Z)-N-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]cycloocta-1,3,5-trien-1-amine?
(1E,3Z,5Z)-N-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]cycloocta-1,3,5-trien-1-amine has a molecular weight of 225.34 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-N-[(1E,3Z,5Z)-cycloocta-1,3,5-trien-1-yl]cycloocta-1,3,5-trien-1-amine is sourced from PubChem (CID 87249940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).